Found 192 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204304
(CHEMBL3954961)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO/c1-2-12-23-13-11-17-15-21(24)19(14-16-7-4-3-5-8-16)18-9-6-10-20(23)22(17)18/h3-5,7-8,17-20,22H,2,6,9-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204310
(CHEMBL3948140)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H35NO/c1-17(2)11-13-25-14-12-19-16-23(26)21(15-18-7-4-3-5-8-18)20-9-6-10-22(25)24(19)20/h3-5,7-8,17,19-22,24H,6,9-16H2,1-2H3/t19-,20+,21+,22+,24+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204321
(CHEMBL3904569)Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO2/c1-25-13-12-23-11-10-17-15-21(24)19(14-16-6-3-2-4-7-16)18-8-5-9-20(23)22(17)18/h2-4,6-7,17-20,22H,5,8-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204323
(CHEMBL3958393)Show SMILES [H][C@]12CCN(CCCCCCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H37NO/c1-3-5-6-7-8-13-22-14-12-16-15-20(23)17(4-2)18-10-9-11-19(22)21(16)18/h16-19,21H,3-15H2,1-2H3/t16-,17+,18+,19+,21+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204308
(CHEMBL3980626)Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H29NOS/c26-23-15-18-11-12-25(16-19-8-5-13-27-19)22-10-4-9-20(24(18)22)21(23)14-17-6-2-1-3-7-17/h1-3,5-8,13,18,20-22,24H,4,9-12,14-16H2/t18-,20+,21+,22+,24+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204316
(CHEMBL3945203)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C26H37NO/c28-25-17-21-14-15-27(18-20-10-5-2-6-11-20)24-13-7-12-22(26(21)24)23(25)16-19-8-3-1-4-9-19/h1,3-4,8-9,20-24,26H,2,5-7,10-18H2/t21-,22+,23+,24+,26+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204320
(CHEMBL3917750)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C25H37NO2/c1-17(2)11-13-26-14-12-19-16-24(27)22(21-5-4-6-23(26)25(19)21)15-18-7-9-20(28-3)10-8-18/h7-10,17,19,21-23,25H,4-6,11-16H2,1-3H3/t19-,21+,22+,23+,25+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204300
(CHEMBL3910552)Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H28N2OS/c26-21-14-17-9-11-25(15-22-24-10-12-27-22)20-8-4-7-18(23(17)20)19(21)13-16-5-2-1-3-6-16/h1-3,5-6,10,12,17-20,23H,4,7-9,11,13-15H2/t17-,18+,19+,20+,23+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204326
(CHEMBL3918997)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H33NO/c1-4-15-16-6-5-7-17-19(16)14(12-18(15)21)9-11-20(17)10-8-13(2)3/h13-17,19H,4-12H2,1-3H3/t14-,15+,16+,17+,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204305
(CHEMBL3890935)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H35NO/c1-2-17-18-9-6-10-19-21(18)16(13-20(17)23)11-12-22(19)14-15-7-4-3-5-8-15/h15-19,21H,2-14H2,1H3/t16-,17+,18+,19+,21+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204307
(CHEMBL3926713)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H29NO2/c1-22-11-10-15-13-20(23)18(17-4-3-5-19(22)21(15)17)12-14-6-8-16(24-2)9-7-14/h6-9,15,17-19,21H,3-5,10-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204317
(CHEMBL3946273)Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H27NOS/c1-2-15-16-6-3-7-17-19(16)13(11-18(15)21)8-9-20(17)12-14-5-4-10-22-14/h4-5,10,13,15-17,19H,2-3,6-9,11-12H2,1H3/t13-,15+,16+,17+,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204298
(CHEMBL3889737)Show SMILES [H][C@@]12CCN(CCC)[C@]3([H])CCC[C@@]([H])([C@@]13[H])[C@]1(CC)C(C2)=Nc2ccccc12 |r,c:24| Show InChI InChI=1S/C23H32N2/c1-3-13-25-14-12-16-15-21-23(4-2,17-8-5-6-10-19(17)24-21)18-9-7-11-20(25)22(16)18/h5-6,8,10,16,18,20,22H,3-4,7,9,11-15H2,1-2H3/t16-,18-,20+,22+,23+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204299
(CHEMBL3898676)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H33NO2/c1-3-12-24-13-11-17-15-22(25)20(19-5-4-6-21(24)23(17)19)14-16-7-9-18(26-2)10-8-16/h7-10,17,19-21,23H,3-6,11-15H2,1-2H3/t17-,19+,20+,21+,23+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204322
(CHEMBL3889749)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C27H39NO2/c1-30-22-12-10-19(11-13-22)16-24-23-8-5-9-25-27(23)21(17-26(24)29)14-15-28(25)18-20-6-3-2-4-7-20/h10-13,20-21,23-25,27H,2-9,14-18H2,1H3/t21-,23+,24+,25+,27+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204302
(CHEMBL3908975)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204297
(CHEMBL3918389)Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO2/c1-3-13-14-5-4-6-15-17(14)12(11-16(13)19)7-8-18(15)9-10-20-2/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204314
(CHEMBL3981067)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)[C@H](O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H31NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-17,19H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204309
(CHEMBL3970903)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H32N2/c1-3-13-26-14-12-19-20-15-16-8-5-6-10-21(16)25-24(20)17(4-2)18-9-7-11-22(26)23(18)19/h5-6,8,10,15,17-19,22-23H,3-4,7,9,11-14H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204303
(CHEMBL3935644)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(CC(=O)C1)[C@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12+,14-,15+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204325
(CHEMBL3945795)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-3-11-12-5-4-6-13-15(12)10(9-14(11)17)7-8-16(13)2/h10-13,15H,3-9H2,1-2H3/t10-,11+,12+,13+,15+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204318
(CHEMBL3959852)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cccc(OC)c5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C25H34N2O/c1-4-13-27-14-12-19-20-15-16-8-6-11-22(28-3)24(16)26-25(20)17(5-2)18-9-7-10-21(27)23(18)19/h6,8,11,15,17-19,21,23H,4-5,7,9-10,12-14H2,1-3H3/t17-,18-,19+,21-,23+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 171 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204324
(CHEMBL3952259)Show SMILES [H][C@@]12CCC[C@@]3([H])N(C)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C22H28N2/c1-3-15-16-8-6-10-20-21(16)17(11-12-24(20)2)18-13-14-7-4-5-9-19(14)23-22(15)18/h4-5,7,9,13,15-17,20-21H,3,6,8,10-12H2,1-2H3/t15-,16-,17+,20-,21+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 189 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204313
(CHEMBL3951093)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cc(Cl)ccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H31ClN2/c1-3-11-27-12-10-19-20-14-15-13-16(25)8-9-21(15)26-24(20)17(4-2)18-6-5-7-22(27)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 209 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204305
(CHEMBL3890935)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H35NO/c1-2-17-18-9-6-10-19-21(18)16(13-20(17)23)11-12-22(19)14-15-7-4-3-5-8-15/h15-19,21H,2-14H2,1H3/t16-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 278 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204311
(CHEMBL3907688)Show SMILES [H][C@@]12CCC[C@]3([H])N(CCC)CC[C@]([H])(CC(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12-,14+,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 345 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204313
(CHEMBL3951093)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cc(Cl)ccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H31ClN2/c1-3-11-27-12-10-19-20-14-15-13-16(25)8-9-21(15)26-24(20)17(4-2)18-6-5-7-22(27)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 372 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204301
(CHEMBL3927338)Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C18H26N2OS/c1-2-13-14-4-3-5-15-18(14)12(10-16(13)21)6-8-20(15)11-17-19-7-9-22-17/h7,9,12-15,18H,2-6,8,10-11H2,1H3/t12-,13+,14+,15+,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 416 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 423 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204309
(CHEMBL3970903)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H32N2/c1-3-13-26-14-12-19-20-15-16-8-5-6-10-21(16)25-24(20)17(4-2)18-9-7-11-22(26)23(18)19/h5-6,8,10,15,17-19,22-23H,3-4,7,9,11-14H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 493 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204323
(CHEMBL3958393)Show SMILES [H][C@]12CCN(CCCCCCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H37NO/c1-3-5-6-7-8-13-22-14-12-16-15-20(23)17(4-2)18-10-9-11-19(22)21(16)18/h16-19,21H,3-15H2,1-2H3/t16-,17+,18+,19+,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 632 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204308
(CHEMBL3980626)Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H29NOS/c26-23-15-18-11-12-25(16-19-8-5-13-27-19)22-10-4-9-20(24(18)22)21(23)14-17-6-2-1-3-7-17/h1-3,5-8,13,18,20-22,24H,4,9-12,14-16H2/t18-,20+,21+,22+,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 638 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 661 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204310
(CHEMBL3948140)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H35NO/c1-17(2)11-13-25-14-12-19-16-23(26)21(15-18-7-4-3-5-8-18)20-9-6-10-22(25)24(19)20/h3-5,7-8,17,19-22,24H,6,9-16H2,1-2H3/t19-,20+,21+,22+,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 711 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204319
(CHEMBL3927917)Show SMILES [H][C@]12CCN(C(=O)NCc3ccc(Cl)cc3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H29ClN2O2/c1-2-17-18-4-3-5-19-21(18)15(12-20(17)26)10-11-25(19)22(27)24-13-14-6-8-16(23)9-7-14/h6-9,15,17-19,21H,2-5,10-13H2,1H3,(H,24,27)/t15-,17+,18+,19+,21+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 722 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 814 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]alpha-methylhistamine from human H3 receptor expressed in HEK Flp-In cells measured after 90 mins by microbeta scintillation coun... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204317
(CHEMBL3946273)Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H27NOS/c1-2-15-16-6-3-7-17-19(16)13(11-18(15)21)8-9-20(17)12-14-5-4-10-22-14/h4-5,10,13,15-17,19H,2-3,6-9,11-12H2,1H3/t13-,15+,16+,17+,19+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 892 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rauwolscine from human Alpha2C receptor expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rauwolscine from human Alpha2B receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting metho... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204316
(CHEMBL3945203)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C26H37NO/c28-25-17-21-14-15-27(18-20-10-5-2-6-11-20)24-13-7-12-22(26(21)24)23(25)16-19-8-3-1-4-9-19/h1,3-4,8-9,20-24,26H,2,5-7,10-18H2/t21-,22+,23+,24+,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204326
(CHEMBL3918997)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H33NO/c1-4-15-16-6-5-7-17-19(16)14(12-18(15)21)9-11-20(17)10-8-13(2)3/h13-17,19H,4-12H2,1-3H3/t14-,15+,16+,17+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204300
(CHEMBL3910552)Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H28N2OS/c26-21-14-17-9-11-25(15-22-24-10-12-27-22)20-8-4-7-18(23(17)20)19(21)13-16-5-2-1-3-6-16/h1-3,5-6,10,12,17-20,23H,4,7-9,11,13-15H2/t17-,18+,19+,20+,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204317
(CHEMBL3946273)Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H27NOS/c1-2-15-16-6-3-7-17-19(16)13(11-18(15)21)8-9-20(17)12-14-5-4-10-22-14/h4-5,10,13,15-17,19H,2-3,6-9,11-12H2,1H3/t13-,15+,16+,17+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rauwolscine from human Alpha2A receptor expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204322
(CHEMBL3889749)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C27H39NO2/c1-30-22-12-10-19(11-13-22)16-24-23-8-5-9-25-27(23)21(17-26(24)29)14-15-28(25)18-20-6-3-2-4-7-20/h10-13,20-21,23-25,27H,2-9,14-18H2,1H3/t21-,23+,24+,25+,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C receptor expressed in Flp-IN HEK cells measured after 90 mins by microbeta scintillation counting m... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204318
(CHEMBL3959852)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cccc(OC)c5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C25H34N2O/c1-4-13-27-14-12-19-20-15-16-8-6-11-22(28-3)24(16)26-25(20)17(5-2)18-9-7-10-21(27)23(18)19/h6,8,11,15,17-19,21,23H,4-5,7,9-10,12-14H2,1-3H3/t17-,18-,19+,21-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204305
(CHEMBL3890935)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H35NO/c1-2-17-18-9-6-10-19-21(18)16(13-20(17)23)11-12-22(19)14-15-7-4-3-5-8-15/h15-19,21H,2-14H2,1H3/t16-,17+,18+,19+,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN35428 from human DAT expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204324
(CHEMBL3952259)Show SMILES [H][C@@]12CCC[C@@]3([H])N(C)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C22H28N2/c1-3-15-16-8-6-10-20-21(16)17(11-12-24(20)2)18-13-14-7-4-5-9-19(14)23-22(15)18/h4-5,7,9,13,15-17,20-21H,3,6,8,10-12H2,1-2H3/t15-,16-,17+,20-,21+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M5 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204304
(CHEMBL3954961)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO/c1-2-12-23-13-11-17-15-21(24)19(14-16-7-4-3-5-8-16)18-9-6-10-20(23)22(17)18/h3-5,7-8,17-20,22H,2,6,9-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50204302
(CHEMBL3908975)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Way100635 from human 5-HT1A receptor expressed in CHO cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204301
(CHEMBL3927338)Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C18H26N2OS/c1-2-13-14-4-3-5-15-18(14)12(10-16(13)21)6-8-20(15)11-17-19-7-9-22-17/h7,9,12-15,18H,2-6,8,10-11H2,1H3/t12-,13+,14+,15+,18+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204297
(CHEMBL3918389)Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO2/c1-3-13-14-5-4-6-15-17(14)12(11-16(13)19)7-8-18(15)9-10-20-2/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylspiperone from human D2 receptor expressed in fibroblast cells measured after 90 mins by microbeta scintillation counting... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204304
(CHEMBL3954961)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO/c1-2-12-23-13-11-17-15-21(24)19(14-16-7-4-3-5-8-16)18-9-6-10-20(23)22(17)18/h3-5,7-8,17-20,22H,2,6,9-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rauwolscine from human Alpha2A receptor expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204302
(CHEMBL3908975)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204319
(CHEMBL3927917)Show SMILES [H][C@]12CCN(C(=O)NCc3ccc(Cl)cc3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H29ClN2O2/c1-2-17-18-4-3-5-19-21(18)15(12-20(17)26)10-11-25(19)22(27)24-13-14-6-8-16(23)9-7-14/h6-9,15,17-19,21H,2-5,10-13H2,1H3,(H,24,27)/t15-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204303
(CHEMBL3935644)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(CC(=O)C1)[C@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12+,14-,15+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Prazosin from human Alpha1D receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rauwolscine from human Alpha2C receptor expressed in MDCK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in HEK Flp-In cells measured after 90 mins by microbeta scintillation counting metho... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human D5 receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M3 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M5 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204326
(CHEMBL3918997)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H33NO/c1-4-15-16-6-5-7-17-19(16)14(12-18(15)21)9-11-20(17)10-8-13(2)3/h13-17,19H,4-12H2,1-3H3/t14-,15+,16+,17+,19+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204321
(CHEMBL3904569)Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO2/c1-25-13-12-23-11-10-17-15-21(24)19(14-16-6-3-2-4-7-16)18-8-5-9-20(23)22(17)18/h2-4,6-7,17-20,22H,5,8-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204326
(CHEMBL3918997)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H33NO/c1-4-15-16-6-5-7-17-19(16)14(12-18(15)21)9-11-20(17)10-8-13(2)3/h13-17,19H,4-12H2,1-3H3/t14-,15+,16+,17+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]CGP12177 from human beta2 receptor expressed in HEK Flp-In cells measured after 90 mins by microbeta scintillation counting metho... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Prazosin from human Alpha1D receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204325
(CHEMBL3945795)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-3-11-12-5-4-6-13-15(12)10(9-14(11)17)7-8-16(13)2/h10-13,15H,3-9H2,1-2H3/t10-,11+,12+,13+,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204321
(CHEMBL3904569)Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO2/c1-25-13-12-23-11-10-17-15-21(24)19(14-16-6-3-2-4-7-16)18-8-5-9-20(23)22(17)18/h2-4,6-7,17-20,22H,5,8-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204301
(CHEMBL3927338)Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C18H26N2OS/c1-2-13-14-4-3-5-15-18(14)12(10-16(13)21)6-8-20(15)11-17-19-7-9-22-17/h7,9,12-15,18H,2-6,8,10-11H2,1H3/t12-,13+,14+,15+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204297
(CHEMBL3918389)Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO2/c1-3-13-14-5-4-6-15-17(14)12(11-16(13)19)7-8-18(15)9-10-20-2/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204300
(CHEMBL3910552)Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H28N2OS/c26-21-14-17-9-11-25(15-22-24-10-12-27-22)20-8-4-7-18(23(17)20)19(21)13-16-5-2-1-3-6-16/h1-3,5-6,10,12,17-20,23H,4,7-9,11,13-15H2/t17-,18+,19+,20+,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-CT from human 5-HT1D receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Citalopram from human SERT expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Way100635 from human 5-HT1A receptor expressed in CHO cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M2 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204324
(CHEMBL3952259)Show SMILES [H][C@@]12CCC[C@@]3([H])N(C)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C22H28N2/c1-3-15-16-8-6-10-20-21(16)17(11-12-24(20)2)18-13-14-7-4-5-9-19(14)23-22(15)18/h4-5,7,9,13,15-17,20-21H,3,6,8,10-12H2,1-2H3/t15-,16-,17+,20-,21+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204307
(CHEMBL3926713)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H29NO2/c1-22-11-10-15-13-20(23)18(17-4-3-5-19(22)21(15)17)12-14-6-8-16(24-2)9-7-14/h6-9,15,17-19,21H,3-5,10-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204316
(CHEMBL3945203)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C26H37NO/c28-25-17-21-14-15-27(18-20-10-5-2-6-11-20)24-13-7-12-22(26(21)24)23(25)16-19-8-3-1-4-9-19/h1,3-4,8-9,20-24,26H,2,5-7,10-18H2/t21-,22+,23+,24+,26+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204313
(CHEMBL3951093)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cc(Cl)ccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H31ClN2/c1-3-11-27-12-10-19-20-14-15-13-16(25)8-9-21(15)26-24(20)17(4-2)18-6-5-7-22(27)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204311
(CHEMBL3907688)Show SMILES [H][C@@]12CCC[C@]3([H])N(CCC)CC[C@]([H])(CC(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12-,14+,15-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylspiperone from D3 receptor (unknown origin) expressed in HEK-T cells measured after 90 mins by microbeta scintillation co... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Pyrilamine from human H1 receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204315
(CHEMBL3916685)Show SMILES [H][C@]12CCN([C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H])S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C21H29NO3S/c1-3-17-18-5-4-6-19-21(18)15(13-20(17)23)11-12-22(19)26(24,25)16-9-7-14(2)8-10-16/h7-10,15,17-19,21H,3-6,11-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]alpha-methylhistamine from human H3 receptor expressed in HEK Flp-In cells measured after 90 mins by microbeta scintillation coun... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Prazosin from human Alpha1B receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to H2 receptor (unknown origin) expressed in HEKT cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M2 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204303
(CHEMBL3935644)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(CC(=O)C1)[C@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12+,14-,15+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-HT5A receptor expressed in Flp-In CHO cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204317
(CHEMBL3946273)Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C19H27NOS/c1-2-15-16-6-3-7-17-19(16)13(11-18(15)21)8-9-20(17)12-14-5-4-10-22-14/h4-5,10,13,15-17,19H,2-3,6-9,11-12H2,1H3/t13-,15+,16+,17+,19+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-CT from human 5-HT1B receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Prazosin from human Alpha1A receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylspiperone from D3 receptor (unknown origin) expressed in HEK-T cells measured after 90 mins by microbeta scintillation co... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylspiperone from human D4 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Pyrilamine from human H1 receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204325
(CHEMBL3945795)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-3-11-12-5-4-6-13-15(12)10(9-14(11)17)7-8-16(13)2/h10-13,15H,3-9H2,1-2H3/t10-,11+,12+,13+,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204300
(CHEMBL3910552)Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H28N2OS/c26-21-14-17-9-11-25(15-22-24-10-12-27-22)20-8-4-7-18(23(17)20)19(21)13-16-5-2-1-3-6-16/h1-3,5-6,10,12,17-20,23H,4,7-9,11,13-15H2/t17-,18+,19+,20+,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204318
(CHEMBL3959852)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cccc(OC)c5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C25H34N2O/c1-4-13-27-14-12-19-20-15-16-8-6-11-22(28-3)24(16)26-25(20)17(5-2)18-9-7-10-21(27)23(18)19/h6,8,11,15,17-19,21,23H,4-5,7,9-10,12-14H2,1-3H3/t17-,18-,19+,21-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Cavia porcellus (Guinea pig)) | BDBM50204315
(CHEMBL3916685)Show SMILES [H][C@]12CCN([C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H])S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C21H29NO3S/c1-3-17-18-5-4-6-19-21(18)15(13-20(17)23)11-12-22(19)26(24,25)16-9-7-14(2)8-10-16/h7-10,15,17-19,21H,3-6,11-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentazocine from guinea pig sigma1 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M4 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204316
(CHEMBL3945203)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C26H37NO/c28-25-17-21-14-15-27(18-20-10-5-2-6-11-20)24-13-7-12-22(26(21)24)23(25)16-19-8-3-1-4-9-19/h1,3-4,8-9,20-24,26H,2,5-7,10-18H2/t21-,22+,23+,24+,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Rauwolscine from human Alpha2B receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting metho... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204320
(CHEMBL3917750)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C25H37NO2/c1-17(2)11-13-26-14-12-19-16-24(27)22(21-5-4-6-23(26)25(19)21)15-18-7-9-20(28-3)10-8-18/h7-10,17,19,21-23,25H,4-6,11-16H2,1-3H3/t19-,21+,22+,23+,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human D1 receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Histamine from H4 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204318
(CHEMBL3959852)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cccc(OC)c5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C25H34N2O/c1-4-13-27-14-12-19-20-15-16-8-6-11-22(28-3)24(16)26-25(20)17(5-2)18-9-7-10-21(27)23(18)19/h6,8,11,15,17-19,21,23H,4-5,7,9-10,12-14H2,1-3H3/t17-,18-,19+,21-,23+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-CT from human 5-HT1D receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204314
(CHEMBL3981067)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)[C@H](O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H31NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-17,19H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylspiperone from human D2 receptor expressed in fibroblast cells measured after 90 mins by microbeta scintillation counting... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-methylspiperone from human D4 receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204310
(CHEMBL3948140)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H35NO/c1-17(2)11-13-25-14-12-19-16-23(26)21(15-18-7-4-3-5-8-18)20-9-6-10-22(25)24(19)20/h3-5,7-8,17,19-22,24H,6,9-16H2,1-2H3/t19-,20+,21+,22+,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204311
(CHEMBL3907688)Show SMILES [H][C@@]12CCC[C@]3([H])N(CCC)CC[C@]([H])(CC(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12-,14+,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204297
(CHEMBL3918389)Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO2/c1-3-13-14-5-4-6-15-17(14)12(11-16(13)19)7-8-18(15)9-10-20-2/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204298
(CHEMBL3889737)Show SMILES [H][C@@]12CCN(CCC)[C@]3([H])CCC[C@@]([H])([C@@]13[H])[C@]1(CC)C(C2)=Nc2ccccc12 |r,c:24| Show InChI InChI=1S/C23H32N2/c1-3-13-25-14-12-16-15-21-23(4-2,17-8-5-6-10-19(17)24-21)18-9-7-11-20(25)22(16)18/h5-6,8,10,16,18,20,22H,3-4,7,9,11-15H2,1-2H3/t16-,18-,20+,22+,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204309
(CHEMBL3970903)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H32N2/c1-3-13-26-14-12-19-20-15-16-8-5-6-10-21(16)25-24(20)17(4-2)18-9-7-11-22(26)23(18)19/h5-6,8,10,15,17-19,22-23H,3-4,7,9,11-14H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Histamine H4 receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Histamine from H4 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204305
(CHEMBL3890935)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H35NO/c1-2-17-18-9-6-10-19-21(18)16(13-20(17)23)11-12-22(19)14-15-7-4-3-5-8-15/h15-19,21H,2-14H2,1H3/t16-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204315
(CHEMBL3916685)Show SMILES [H][C@]12CCN([C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H])S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C21H29NO3S/c1-3-17-18-5-4-6-19-21(18)15(13-20(17)23)11-12-22(19)26(24,25)16-9-7-14(2)8-10-16/h7-10,15,17-19,21H,3-6,11-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204325
(CHEMBL3945795)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-3-11-12-5-4-6-13-15(12)10(9-14(11)17)7-8-16(13)2/h10-13,15H,3-9H2,1-2H3/t10-,11+,12+,13+,15+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Prazosin from human Alpha1B receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204322
(CHEMBL3889749)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C27H39NO2/c1-30-22-12-10-19(11-13-22)16-24-23-8-5-9-25-27(23)21(17-26(24)29)14-15-28(25)18-20-6-3-2-4-7-20/h10-13,20-21,23-25,27H,2-9,14-18H2,1H3/t21-,23+,24+,25+,27+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204298
(CHEMBL3889737)Show SMILES [H][C@@]12CCN(CCC)[C@]3([H])CCC[C@@]([H])([C@@]13[H])[C@]1(CC)C(C2)=Nc2ccccc12 |r,c:24| Show InChI InChI=1S/C23H32N2/c1-3-13-25-14-12-16-15-21-23(4-2,17-8-5-6-10-19(17)24-21)18-9-7-11-20(25)22(16)18/h5-6,8,10,16,18,20,22H,3-4,7,9,11-15H2,1-2H3/t16-,18-,20+,22+,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204307
(CHEMBL3926713)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H29NO2/c1-22-11-10-15-13-20(23)18(17-4-3-5-19(22)21(15)17)12-14-6-8-16(24-2)9-7-14/h6-9,15,17-19,21H,3-5,10-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Nisoxetine from human NET expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204315
(CHEMBL3916685)Show SMILES [H][C@]12CCN([C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H])S(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C21H29NO3S/c1-3-17-18-5-4-6-19-21(18)15(13-20(17)23)11-12-22(19)26(24,25)16-9-7-14(2)8-10-16/h7-10,15,17-19,21H,3-6,11-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204319
(CHEMBL3927917)Show SMILES [H][C@]12CCN(C(=O)NCc3ccc(Cl)cc3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H29ClN2O2/c1-2-17-18-4-3-5-19-21(18)15(12-20(17)26)10-11-25(19)22(27)24-13-14-6-8-16(23)9-7-14/h6-9,15,17-19,21H,2-5,10-13H2,1H3,(H,24,27)/t15-,17+,18+,19+,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204320
(CHEMBL3917750)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C25H37NO2/c1-17(2)11-13-26-14-12-19-16-24(27)22(21-5-4-6-23(26)25(19)21)15-18-7-9-20(28-3)10-8-18/h7-10,17,19,21-23,25H,4-6,11-16H2,1-3H3/t19-,21+,22+,23+,25+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Citalopram from human SERT expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204323
(CHEMBL3958393)Show SMILES [H][C@]12CCN(CCCCCCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H37NO/c1-3-5-6-7-8-13-22-14-12-16-15-20(23)17(4-2)18-10-9-11-19(22)21(16)18/h16-19,21H,3-15H2,1-2H3/t16-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204301
(CHEMBL3927338)Show SMILES [H][C@]12CCN(Cc3nccs3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C18H26N2OS/c1-2-13-14-4-3-5-15-18(14)12(10-16(13)21)6-8-20(15)11-17-19-7-9-22-17/h7,9,12-15,18H,2-6,8,10-11H2,1H3/t12-,13+,14+,15+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204308
(CHEMBL3980626)Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H29NOS/c26-23-15-18-11-12-25(16-19-8-5-13-27-19)22-10-4-9-20(24(18)22)21(23)14-17-6-2-1-3-7-17/h1-3,5-8,13,18,20-22,24H,4,9-12,14-16H2/t18-,20+,21+,22+,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 5A
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]LSD from human 5-HT5A receptor expressed in Flp-In CHO cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M1 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204311
(CHEMBL3907688)Show SMILES [H][C@@]12CCC[C@]3([H])N(CCC)CC[C@]([H])(CC(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12-,14+,15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204302
(CHEMBL3908975)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204324
(CHEMBL3952259)Show SMILES [H][C@@]12CCC[C@@]3([H])N(C)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C22H28N2/c1-3-15-16-8-6-10-20-21(16)17(11-12-24(20)2)18-13-14-7-4-5-9-19(14)23-22(15)18/h4-5,7,9,13,15-17,20-21H,3,6,8,10-12H2,1-2H3/t15-,16-,17+,20-,21+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Prazosin from human Alpha1A receptor measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204299
(CHEMBL3898676)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H33NO2/c1-3-12-24-13-11-17-15-22(25)20(19-5-4-6-21(24)23(17)19)14-16-7-9-18(26-2)10-8-16/h7-10,17,19-21,23H,3-6,11-15H2,1-2H3/t17-,19+,20+,21+,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
D(1B) dopamine receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]SCH23390 from human D5 receptor expressed in HEK-T cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204313
(CHEMBL3951093)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5cc(Cl)ccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H31ClN2/c1-3-11-27-12-10-19-20-14-15-13-16(25)8-9-21(15)26-24(20)17(4-2)18-6-5-7-22(27)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204310
(CHEMBL3948140)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H35NO/c1-17(2)11-13-25-14-12-19-16-23(26)21(15-18-7-4-3-5-8-18)20-9-6-10-22(25)24(19)20/h3-5,7-8,17,19-22,24H,6,9-16H2,1-2H3/t19-,20+,21+,22+,24+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204314
(CHEMBL3981067)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)[C@H](O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H31NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-17,19H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M4 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204323
(CHEMBL3958393)Show SMILES [H][C@]12CCN(CCCCCCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H37NO/c1-3-5-6-7-8-13-22-14-12-16-15-20(23)17(4-2)18-10-9-11-19(22)21(16)18/h16-19,21H,3-15H2,1-2H3/t16-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204322
(CHEMBL3889749)Show SMILES [H][C@]12CCN(CC3CCCCC3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C27H39NO2/c1-30-22-12-10-19(11-13-22)16-24-23-8-5-9-25-27(23)21(17-26(24)29)14-15-28(25)18-20-6-3-2-4-7-20/h10-13,20-21,23-25,27H,2-9,14-18H2,1H3/t21-,23+,24+,25+,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204320
(CHEMBL3917750)Show SMILES [H][C@]12CCN(CCC(C)C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C25H37NO2/c1-17(2)11-13-26-14-12-19-16-24(27)22(21-5-4-6-23(26)25(19)21)15-18-7-9-20(28-3)10-8-18/h7-10,17,19,21-23,25H,4-6,11-16H2,1-3H3/t19-,21+,22+,23+,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204309
(CHEMBL3970903)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccccc5nc4[C@@H]1CC)[C@]23[H] |r| Show InChI InChI=1S/C24H32N2/c1-3-13-26-14-12-19-20-15-16-8-5-6-10-21(16)25-24(20)17(4-2)18-9-7-11-22(26)23(18)19/h5-6,8,10,15,17-19,22-23H,3-4,7,9,11-14H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204307
(CHEMBL3926713)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C21H29NO2/c1-22-11-10-15-13-20(23)18(17-4-3-5-19(22)21(15)17)12-14-6-8-16(24-2)9-7-14/h6-9,15,17-19,21H,3-5,10-13H2,1-2H3/t15-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204319
(CHEMBL3927917)Show SMILES [H][C@]12CCN(C(=O)NCc3ccc(Cl)cc3)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H29ClN2O2/c1-2-17-18-4-3-5-19-21(18)15(12-20(17)26)10-11-25(19)22(27)24-13-14-6-8-16(23)9-7-14/h6-9,15,17-19,21H,2-5,10-13H2,1H3,(H,24,27)/t15-,17+,18+,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204304
(CHEMBL3954961)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO/c1-2-12-23-13-11-17-15-21(24)19(14-16-7-4-3-5-8-16)18-9-6-10-20(23)22(17)18/h3-5,7-8,17-20,22H,2,6,9-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204299
(CHEMBL3898676)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H33NO2/c1-3-12-24-13-11-17-15-22(25)20(19-5-4-6-21(24)23(17)19)14-16-7-9-18(26-2)10-8-16/h7-10,17,19-21,23H,3-6,11-15H2,1-2H3/t17-,19+,20+,21+,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204302
(CHEMBL3908975)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H29NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+,17+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN35428 from human DAT expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204308
(CHEMBL3980626)Show SMILES [H][C@]12CCN(Cc3cccs3)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C24H29NOS/c26-23-15-18-11-12-25(16-19-8-5-13-27-19)22-10-4-9-20(24(18)22)21(23)14-17-6-2-1-3-7-17/h1-3,5-8,13,18,20-22,24H,4,9-12,14-16H2/t18-,20+,21+,22+,24+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50204299
(CHEMBL3898676)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccc(OC)cc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C23H33NO2/c1-3-12-24-13-11-17-15-22(25)20(19-5-4-6-21(24)23(17)19)14-16-7-9-18(26-2)10-8-16/h7-10,17,19-21,23H,3-6,11-15H2,1-2H3/t17-,19+,20+,21+,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DADLE from human DOR expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Way100635 from human 5-HT1A receptor expressed in CHO cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]Mesulergine from human 5-HT2C receptor expressed in Flp-IN HEK cells measured after 90 mins by microbeta scintillation counting m... |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50204306
(CHEMBL3897499)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r| Show InChI InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to H2 receptor (unknown origin) expressed in HEKT cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204303
(CHEMBL3935644)Show SMILES [H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(CC(=O)C1)[C@]23[H] |r| Show InChI InChI=1S/C15H25NO/c1-2-7-16-8-6-12-10-13(17)9-11-4-3-5-14(16)15(11)12/h11-12,14-15H,2-10H2,1H3/t11-,12+,14-,15+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204321
(CHEMBL3904569)Show SMILES [H][C@]12CCN(CCOC)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C22H31NO2/c1-25-13-12-23-11-10-17-15-21(24)19(14-16-6-3-2-4-7-16)18-8-5-9-20(23)22(17)18/h2-4,6-7,17-20,22H,5,8-15H2,1H3/t17-,18+,19+,20+,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50204314
(CHEMBL3981067)Show SMILES [H][C@]12CCN(CCC)[C@]3([H])CCC[C@]([H])([C@@H](CC)[C@H](O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C17H31NO/c1-3-9-18-10-8-12-11-16(19)13(4-2)14-6-5-7-15(18)17(12)14/h12-17,19H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK cells after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]5-CT from human 5-HT1B receptor expressed in HEK cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50204312
(CHEMBL3936289)Show SMILES [H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r| Show InChI InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Binding affinity to human M1 receptor expressed in CHO cells measured after 90 mins by radioligand binding assay |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50204298
(CHEMBL3889737)Show SMILES [H][C@@]12CCN(CCC)[C@]3([H])CCC[C@@]([H])([C@@]13[H])[C@]1(CC)C(C2)=Nc2ccccc12 |r,c:24| Show InChI InChI=1S/C23H32N2/c1-3-13-25-14-12-16-15-21-23(4-2,17-8-5-6-10-19(17)24-21)18-9-7-11-20(25)22(16)18/h5-6,8,10,16,18,20,22H,3-4,7,9,11-15H2,1-2H3/t16-,18-,20+,22+,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 from KOR (unknown origin) expressed in HEKT cells measured after 90 mins by microbeta scintillation counting method |
Bioorg Med Chem Lett 26: 5689-5694 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.065
BindingDB Entry DOI: 10.7270/Q25H7J7R |
More data for this
Ligand-Target Pair | |
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