Found 535 hits with Last Name = 'stabley' and Initial = 'gj' 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 |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50007344
((S)-2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2...)Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176375
(2-(3,4-dichlorophenylamino)-N-((S)-2-((S)-3-hydrox...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H25Cl2N3O2/c1-25(21(28)12-24-16-7-8-18(22)19(23)11-16)20(15-5-3-2-4-6-15)14-26-10-9-17(27)13-26/h2-8,11,17,20,24,27H,9-10,12-14H2,1H3/t17-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176369
(CHEMBL201884 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1 Show InChI InChI=1S/C21H27N3O2/c1-23(21(26)14-22-18-10-6-3-7-11-18)20(17-8-4-2-5-9-17)16-24-13-12-19(25)15-24/h2-11,19-20,22,25H,12-16H2,1H3/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176370
(CHEMBL201572 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H26N4O4/c1-23(21(27)13-22-17-7-9-18(10-8-17)25(28)29)20(16-5-3-2-4-6-16)15-24-12-11-19(26)14-24/h2-10,19-20,22,26H,11-15H2,1H3/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176374
(CHEMBL382932 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)Show SMILES CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H29N3O2/c1-23(19-11-7-4-8-12-19)17-22(27)24(2)21(18-9-5-3-6-10-18)16-25-14-13-20(26)15-25/h3-12,20-21,26H,13-17H2,1-2H3/t20-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176365
(CHEMBL201905 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H26F3N3O2/c1-27(21(30)13-26-18-9-7-17(8-10-18)22(23,24)25)20(16-5-3-2-4-6-16)15-28-12-11-19(29)14-28/h2-10,19-20,26,29H,11-15H2,1H3/t19-,20+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176373
(2-(2-cyanophenylamino)-N-((S)-2-((S)-3-hydroxypyrr...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1C#N Show InChI InChI=1S/C22H26N4O2/c1-25(22(28)14-24-20-10-6-5-9-18(20)13-23)21(17-7-3-2-4-8-17)16-26-12-11-19(27)15-26/h2-10,19,21,24,27H,11-12,14-16H2,1H3/t19-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166621
(CHEMBL191987 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C22H29N3O4S/c1-24(22(27)14-17-8-10-19(11-9-17)23-30(2,28)29)21(18-6-4-3-5-7-18)16-25-13-12-20(26)15-25/h3-11,20-21,23,26H,12-16H2,1-2H3/t20-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50136591
(3-[(3R,4R)-3,4-Dimethyl-1-(3,5,5-trimethyl-hexyl)-...)Show SMILES CC(CCN1CC[C@](C)([C@@H](C)C1)c1cccc(c1)C(N)=O)CC(C)(C)C Show InChI InChI=1S/C23H38N2O/c1-17(15-22(3,4)5)10-12-25-13-11-23(6,18(2)16-25)20-9-7-8-19(14-20)21(24)26/h7-9,14,17-18H,10-13,15-16H2,1-6H3,(H2,24,26)/t17?,18-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor |
Bioorg Med Chem Lett 13: 4459-62 (2003)
BindingDB Entry DOI: 10.7270/Q2RV0P7G |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176367
(2-(3-cyanophenylamino)-N-((S)-2-((S)-3-hydroxypyrr...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1cccc(c1)C#N Show InChI InChI=1S/C22H26N4O2/c1-25(22(28)14-24-19-9-5-6-17(12-19)13-23)21(18-7-3-2-4-8-18)16-26-11-10-20(27)15-26/h2-9,12,20-21,24,27H,10-11,14-16H2,1H3/t20-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166619
(CHEMBL425897 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1 Show InChI InChI=1S/C23H31N3O4S/c1-25(22(20-6-4-3-5-7-20)17-26-13-12-21(27)16-26)23(28)14-18-8-10-19(11-9-18)15-24-31(2,29)30/h3-11,21-22,24,27H,12-17H2,1-2H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176376
(2-(4-cyanophenylamino)-N-((S)-2-((S)-3-hydroxypyrr...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccc(cc1)C#N Show InChI InChI=1S/C22H26N4O2/c1-25(22(28)14-24-19-9-7-17(13-23)8-10-19)21(18-5-3-2-4-6-18)16-26-12-11-20(27)15-26/h2-10,20-21,24,27H,11-12,14-16H2,1H3/t20-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176372
(CHEMBL201283 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1ccccc1CNS(C)(=O)=O Show InChI InChI=1S/C23H32N4O4S/c1-26(22(18-8-4-3-5-9-18)17-27-13-12-20(28)16-27)23(29)15-24-21-11-7-6-10-19(21)14-25-32(2,30)31/h3-11,20,22,24-25,28H,12-17H2,1-2H3/t20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166613
(2-{4-[(Butane-1-sulfonylamino)-methyl]-phenyl}-N-[...)Show SMILES CCCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C26H37N3O4S/c1-3-4-16-34(32,33)27-18-22-12-10-21(11-13-22)17-26(31)28(2)25(23-8-6-5-7-9-23)20-29-15-14-24(30)19-29/h5-13,24-25,27,30H,3-4,14-20H2,1-2H3/t24-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213144
(CHEMBL233184 | morpholin-4-yl-acetic acid 4-(1,1-d...)Show SMILES CCCCCCC(C)(C)c1ccc(c(COC(=O)CN2CCOCC2)c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C30H43NO3/c1-6-7-8-9-12-30(4,5)27-10-11-28(25-18-23(2)17-24(3)19-25)26(20-27)22-34-29(32)21-31-13-15-33-16-14-31/h10-11,17-20H,6-9,12-16,21-22H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB2 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213141
(4-(1,1-dimethyl-heptyl)-2'-methoxy-biphenyl-2-ol |...)Show InChI InChI=1S/C22H30O2/c1-5-6-7-10-15-22(2,3)17-13-14-18(20(23)16-17)19-11-8-9-12-21(19)24-4/h8-9,11-14,16,23H,5-7,10,15H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB2 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176362
(2-((4-cyanophenyl)(methyl)amino)-N-((S)-2-((S)-3-h...)Show SMILES CN(CC(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H28N4O2/c1-25(20-10-8-18(14-24)9-11-20)17-23(29)26(2)22(19-6-4-3-5-7-19)16-27-13-12-21(28)15-27/h3-11,21-22,28H,12-13,15-17H2,1-2H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166626
(CHEMBL363822 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CCCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C25H35N3O4S/c1-3-15-33(31,32)26-17-21-11-9-20(10-12-21)16-25(30)27(2)24(22-7-5-4-6-8-22)19-28-14-13-23(29)18-28/h4-12,23-24,26,29H,3,13-19H2,1-2H3/t23-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166614
(CHEMBL189643 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C29H35N3O4S/c1-31(28(26-10-6-3-7-11-26)21-32-17-16-27(33)20-32)29(34)18-23-12-14-24(15-13-23)19-30-37(35,36)22-25-8-4-2-5-9-25/h2-15,27-28,30,33H,16-22H2,1H3/t27-,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166615
(2-[4-(Ethanesulfonylamino-methyl)-phenyl]-N-[(S)-2...)Show SMILES CCS(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C24H33N3O4S/c1-3-32(30,31)25-16-20-11-9-19(10-12-20)15-24(29)26(2)23(21-7-5-4-6-8-21)18-27-14-13-22(28)17-27/h4-12,22-23,25,28H,3,13-18H2,1-2H3/t22-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176371
(CHEMBL202267 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)Show SMILES CCCS(=O)(=O)Nc1ccc(NCC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C24H34N4O4S/c1-3-15-33(31,32)26-21-11-9-20(10-12-21)25-16-24(30)27(2)23(19-7-5-4-6-8-19)18-28-14-13-22(29)17-28/h4-12,22-23,25-26,29H,3,13-18H2,1-2H3/t22-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50136599
(3-[(3R,4R)-3,4-Dimethyl-1-(4-methylsulfanyl-benzyl...)Show SMILES CSc1ccc(CN2CC[C@](C)([C@@H](C)C2)c2cccc(c2)C(N)=O)cc1 Show InChI InChI=1S/C22H28N2OS/c1-16-14-24(15-17-7-9-20(26-3)10-8-17)12-11-22(16,2)19-6-4-5-18(13-19)21(23)25/h4-10,13,16H,11-12,14-15H2,1-3H3,(H2,23,25)/t16-,22+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor |
Bioorg Med Chem Lett 13: 4459-62 (2003)
BindingDB Entry DOI: 10.7270/Q2RV0P7G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213155
(4-(1,1-dimethyl-heptyl)-2',6'-dimethyl-biphenyl-2-...)Show SMILES CCCCCCC(C)(C)c1ccc(c(O)c1)-c1c(C)cccc1C |(13.06,-4.96,;13.83,-6.29,;13.06,-7.62,;13.83,-8.96,;13.06,-10.29,;13.83,-11.63,;13.06,-12.96,;14.38,-13.73,;12.29,-14.3,;11.72,-12.19,;11.71,-10.64,;10.38,-9.88,;9.05,-10.65,;9.05,-12.19,;7.71,-12.96,;10.38,-12.96,;7.72,-9.88,;7.72,-8.34,;9.06,-7.57,;6.39,-7.57,;5.06,-8.34,;5.06,-9.89,;6.39,-10.65,;6.4,-12.19,)| Show InChI InChI=1S/C23H32O/c1-6-7-8-9-15-23(4,5)19-13-14-20(21(24)16-19)22-17(2)11-10-12-18(22)3/h10-14,16,24H,6-9,15H2,1-5H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB1 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213141
(4-(1,1-dimethyl-heptyl)-2'-methoxy-biphenyl-2-ol |...)Show InChI InChI=1S/C22H30O2/c1-5-6-7-10-15-22(2,3)17-13-14-18(20(23)16-17)19-11-8-9-12-21(19)24-4/h8-9,11-14,16,23H,5-7,10,15H2,1-4H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB1 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166623
(CHEMBL192998 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 Show InChI InChI=1S/C29H35N3O4S/c1-22-8-14-27(15-9-22)37(35,36)30-19-24-12-10-23(11-13-24)18-29(34)31(2)28(25-6-4-3-5-7-25)21-32-17-16-26(33)20-32/h3-15,26,28,30,33H,16-21H2,1-2H3/t26-,28+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166618
(CHEMBL192718 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCCNS(C)(=O)=O)cc1 Show InChI InChI=1S/C25H35N3O4S/c1-27(24(22-8-4-3-5-9-22)19-28-16-14-23(29)18-28)25(30)17-21-12-10-20(11-13-21)7-6-15-26-33(2,31)32/h3-5,8-13,23-24,26,29H,6-7,14-19H2,1-2H3/t23-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50277152
((1S,2S,4R)-1,3,3-trimethyl-N-(4-methyl-3-(morpholi...)Show SMILES Cc1ccc(NC(=O)[C@H]2[C@@]3(C)CC[C@H](C3)C2(C)C)cc1S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-17(13-18(15)29(26,27)24-9-11-28-12-10-24)23-20(25)19-21(2,3)16-7-8-22(19,4)14-16/h5-6,13,16,19H,7-12,14H2,1-4H3,(H,23,25)/t16-,19-,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry |
Bioorg Med Chem Lett 19: 309-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213164
(4-(1-hexyl-cyclohexyl)-3',5'-dimethyl-biphenyl-2-o...)Show SMILES CCCCCCC1(CCCCC1)c1ccc(c(O)c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C26H36O/c1-4-5-6-8-13-26(14-9-7-10-15-26)23-11-12-24(25(27)19-23)22-17-20(2)16-21(3)18-22/h11-12,16-19,27H,4-10,13-15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB2 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213164
(4-(1-hexyl-cyclohexyl)-3',5'-dimethyl-biphenyl-2-o...)Show SMILES CCCCCCC1(CCCCC1)c1ccc(c(O)c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C26H36O/c1-4-5-6-8-13-26(14-9-7-10-15-26)23-11-12-24(25(27)19-23)22-17-20(2)16-21(3)18-22/h11-12,16-19,27H,4-10,13-15H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB1 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50045767
((+)-N-phenethyl trans-3(R),4(R)-dimethyl-4-(3-hydr...)Show SMILES C[C@H]1CN(CCc2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C21H27NO/c1-17-16-22(13-11-18-7-4-3-5-8-18)14-12-21(17,2)19-9-6-10-20(23)15-19/h3-10,15,17,23H,11-14,16H2,1-2H3/t17-,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor |
Bioorg Med Chem Lett 13: 4459-62 (2003)
BindingDB Entry DOI: 10.7270/Q2RV0P7G |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166631
(2-(2-Methanesulfonyl-2,3-dihydro-1H-isoindol-5-yl)...)Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc2CN(Cc2c1)S(C)(=O)=O Show InChI InChI=1S/C24H31N3O3S/c1-25(23(18-26-12-6-7-13-26)20-8-4-3-5-9-20)24(28)15-19-10-11-21-16-27(31(2,29)30)17-22(21)14-19/h3-5,8-11,14,23H,6-7,12-13,15-18H2,1-2H3/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166633
(2-[2-(Acetylamino-methyl)-phenyl]-N-methyl-N-((S)-...)Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccccc1CNC(C)=O Show InChI InChI=1S/C24H31N3O2/c1-19(28)25-17-22-13-7-6-12-21(22)16-24(29)26(2)23(18-27-14-8-9-15-27)20-10-4-3-5-11-20/h3-7,10-13,23H,8-9,14-18H2,1-2H3,(H,25,28)/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213163
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)Show InChI InChI=1S/C23H32O/c1-6-7-8-9-12-23(4,5)20-10-11-21(22(24)16-20)19-14-17(2)13-18(3)15-19/h10-11,13-16,24H,6-9,12H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB2 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301311
((+/-)3,3,3-trifluoro-2-methyl-N-(8-morpholino-5,6,...)Show SMILES CC(C(=O)Nc1ccc2CCCC(N3CCOCC3)c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H22F6N2O2/c1-17(18(20,21)22,19(23,24)25)16(28)26-13-6-5-12-3-2-4-15(14(12)11-13)27-7-9-29-10-8-27/h5-6,11,15H,2-4,7-10H2,1H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50301315
(CHEMBL568467 | N-(3,4-dimethyl-5-(morpholinomethyl...)Show SMILES Cc1cc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc(CN2CCOCC2)c1C Show InChI InChI=1S/C18H22F6N2O2/c1-11-8-14(9-13(12(11)2)10-26-4-6-28-7-5-26)25-15(27)16(3,17(19,20)21)18(22,23)24/h8-9H,4-7,10H2,1-3H3,(H,25,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 5004-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.057
BindingDB Entry DOI: 10.7270/Q25M65S1 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166624
(CHEMBL447185 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CC(C)S(=O)(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)cc1 Show InChI InChI=1S/C25H35N3O4S/c1-19(2)33(31,32)26-16-21-11-9-20(10-12-21)15-25(30)27(3)24(22-7-5-4-6-8-22)18-28-14-13-23(29)17-28/h4-12,19,23-24,26,29H,13-18H2,1-3H3/t23-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213148
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)Show SMILES CCCCCCC(C)(C)c1ccc(-c2cc(C)cc(C)c2)c(c1)C(=O)OC Show InChI InChI=1S/C25H34O2/c1-7-8-9-10-13-25(4,5)21-11-12-22(23(17-21)24(26)27-6)20-15-18(2)14-19(3)16-20/h11-12,14-17H,7-10,13H2,1-6H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB1 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213163
(4-(1,1-dimethyl-heptyl)-3',5'-dimethyl-biphenyl-2-...)Show InChI InChI=1S/C23H32O/c1-6-7-8-9-12-23(4,5)20-10-11-21(22(24)16-20)19-14-17(2)13-18(3)15-19/h10-11,13-16,24H,6-9,12H2,1-5H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB1 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166628
(CHEMBL189430 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CCNS(C)(=O)=O)cc1 Show InChI InChI=1S/C24H33N3O4S/c1-26(23(21-6-4-3-5-7-21)18-27-15-13-22(28)17-27)24(29)16-20-10-8-19(9-11-20)12-14-25-32(2,30)31/h3-11,22-23,25,28H,12-18H2,1-2H3/t22-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166636
(CHEMBL370538 | N-[(S)-2-((S)-3-Hydroxy-pyrrolidin-...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)Cc1ccc(CNS(=O)(=O)Cc2cccs2)cc1 Show InChI InChI=1S/C27H33N3O4S2/c1-29(26(23-6-3-2-4-7-23)19-30-14-13-24(31)18-30)27(32)16-21-9-11-22(12-10-21)17-28-36(33,34)20-25-8-5-15-35-25/h2-12,15,24,26,28,31H,13-14,16-20H2,1H3/t24-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50213150
(4-(1-hexyl-cyclopentyl)-3',5'-dimethyl-biphenyl-2-...)Show SMILES CCCCCCC1(CCCC1)c1ccc(c(O)c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C25H34O/c1-4-5-6-7-12-25(13-8-9-14-25)22-10-11-23(24(26)18-22)21-16-19(2)15-20(3)17-21/h10-11,15-18,26H,4-9,12-14H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB1 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50166620
(2-[4-(Methanesulfonylamino-methyl)-phenyl]-N-methy...)Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1ccc(CNS(C)(=O)=O)cc1 Show InChI InChI=1S/C23H31N3O3S/c1-25(22(18-26-14-6-7-15-26)21-8-4-3-5-9-21)23(27)16-19-10-12-20(13-11-19)17-24-30(2,28)29/h3-5,8-13,22,24H,6-7,14-18H2,1-2H3/t22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand |
Bioorg Med Chem Lett 15: 2647-52 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50136600
(3-[(3R,4R)-3,4-Dimethyl-1-(3-phenyl-propyl)-piperi...)Show SMILES C[C@H]1CN(CCCc2ccccc2)CC[C@@]1(C)c1cccc(c1)C(N)=O Show InChI InChI=1S/C23H30N2O/c1-18-17-25(14-7-10-19-8-4-3-5-9-19)15-13-23(18,2)21-12-6-11-20(16-21)22(24)26/h3-6,8-9,11-12,16,18H,7,10,13-15,17H2,1-2H3,(H2,24,26)/t18-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor |
Bioorg Med Chem Lett 13: 4459-62 (2003)
BindingDB Entry DOI: 10.7270/Q2RV0P7G |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50136603
(3-[(3R,4R)-1-(4-tert-Butyl-benzyl)-3,4-dimethyl-pi...)Show SMILES C[C@H]1CN(Cc2ccc(cc2)C(C)(C)C)CC[C@@]1(C)c1cccc(c1)C(N)=O Show InChI InChI=1S/C25H34N2O/c1-18-16-27(17-19-9-11-21(12-10-19)24(2,3)4)14-13-25(18,5)22-8-6-7-20(15-22)23(26)28/h6-12,15,18H,13-14,16-17H2,1-5H3,(H2,26,28)/t18-,25+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Inhibition of binding of the non-selective opioid antagonist, [3H]diprenorphine, to cloned human mu opioid receptor |
Bioorg Med Chem Lett 13: 4459-62 (2003)
BindingDB Entry DOI: 10.7270/Q2RV0P7G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50377711
(CHEMBL256962)Show SMILES C[C@@]12CC[C@@H](C1)C(C)(C)[C@H]2NC(=O)c1ccc(Br)c(c1)S(=O)(=O)N1CCOCC1 |THB:10:9:3.2:5| Show InChI InChI=1S/C21H29BrN2O4S/c1-20(2)15-6-7-21(3,13-15)19(20)23-18(25)14-4-5-16(22)17(12-14)29(26,27)24-8-10-28-11-9-24/h4-5,12,15,19H,6-11,13H2,1-3H3,(H,23,25)/t15-,19+,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP-55940 from human cloned CB2 receptor |
Bioorg Med Chem Lett 18: 2830-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.006
BindingDB Entry DOI: 10.7270/Q2P2701M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50213175
(4-(6-hydroxy-1,1-dimethyl-hexyl)-3',5'-dimethyl-bi...)Show InChI InChI=1S/C22H30O2/c1-16-12-17(2)14-18(13-16)20-9-8-19(15-21(20)24)22(3,4)10-6-5-7-11-23/h8-9,12-15,23-24H,5-7,10-11H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from cloned human CB2 receptor |
Bioorg Med Chem Lett 17: 3652-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.059
BindingDB Entry DOI: 10.7270/Q2GM8703 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000788
((morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-az...)Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Purchase
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
| DrugBank
PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| |
Bioorg Med Chem Lett 13: 4459-62 (2003)
BindingDB Entry DOI: 10.7270/Q2RV0P7G |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176364
(2-(Acetyl-phenyl-amino)-N-[(S)-2-((S)-3-hydroxy-py...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CN(C(C)=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O3/c1-18(27)26(20-11-7-4-8-12-20)17-23(29)24(2)22(19-9-5-3-6-10-19)16-25-14-13-21(28)15-25/h3-12,21-22,28H,13-17H2,1-2H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50277193
(4-methyl-3-(morpholinosulfonyl)-N-((1S,2S,4R)-1,3,...)Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N[C@H]1[C@@]2(C)CC[C@H](C2)C1(C)C |r| Show InChI InChI=1S/C22H32N2O4S/c1-15-5-6-16(13-18(15)29(26,27)24-9-11-28-12-10-24)19(25)23-20-21(2,3)17-7-8-22(20,4)14-17/h5-6,13,17,20H,7-12,14H2,1-4H3,(H,23,25)/t17-,20-,22+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human cloned CB2 receptor by scintillation spectrometry |
Bioorg Med Chem Lett 19: 309-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.11.091
BindingDB Entry DOI: 10.7270/Q2G73DK3 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176366
(CHEMBL204650 | N-((S)-2-((S)-3-hydroxypyrrolidin-1...)Show SMILES CN([C@H](CN1CC[C@H](O)C1)c1ccccc1)C(=O)CNc1cccc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C23H32N4O4S/c1-26(22(19-8-4-3-5-9-19)17-27-12-11-21(28)16-27)23(29)15-24-20-10-6-7-18(13-20)14-25-32(2,30)31/h3-10,13,21-22,24-25,28H,11-12,14-17H2,1-2H3/t21-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Adolor Corporation
Curated by ChEMBL
| Assay Description
Binding affinity to kappa opioid receptor |
Bioorg Med Chem Lett 16: 645-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.034
BindingDB Entry DOI: 10.7270/Q26W99N3 |
More data for this
Ligand-Target Pair | |
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