Found 5326 hits with Last Name = 'robert' and Initial = 'e' 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
(Cavia porcellus (domestic guinea pig)) | BDBM50130563
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at kappa opioid receptor in guinea pig caudate assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] binding |
Bioorg Med Chem Lett 24: 2021-32 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50281663
(10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(...)Show SMILES CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against Opioid receptor kappa 1 |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302760
(CHEMBL568818 | N,N-diethyl-4-((1-(2-(furan-3-yl)et...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C28H35N3O3/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302755
(CHEMBL569316 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccn2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)23-11-13-25(14-12-23)33(27-9-7-10-28(34)22-27)26-16-20-31(21-17-26)19-15-24-8-5-6-18-30-24/h5-14,18,22,26,34H,3-4,15-17,19-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302759
(CHEMBL584941 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccsc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)23-8-10-24(11-9-23)31(26-6-5-7-27(32)20-26)25-13-17-29(18-14-25)16-12-22-15-19-34-21-22/h5-11,15,19-21,25,32H,3-4,12-14,16-18H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302756
(4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-22(11-9-21)32(24-6-5-7-25(33)20-24)23-12-17-30(18-13-23)19-14-26-28-15-16-29-26/h5-11,15-16,20,23,33H,3-4,12-14,17-19H2,1-2H3,(H,28,29) | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302758
(CHEMBL570000 | N,N-diethyl-4-((1-(2-(furan-2-yl)et...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccco2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C28H35N3O3/c1-3-30(4-2)28(33)22-10-12-23(13-11-22)31(25-7-5-8-26(32)21-25)24-14-17-29(18-15-24)19-16-27-9-6-20-34-27/h5-13,20-21,24,32H,3-4,14-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302765
(CHEMBL569755 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C30H37N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h5-16,23,27,34H,3-4,17-22H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302763
(CHEMBL569728 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-13-15-27(16-14-26)34(29-7-6-8-30(35)23-29)28-18-21-32(22-19-28)20-17-25-11-9-24(3)10-12-25/h6-16,23,28,35H,4-5,17-22H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302757
(CHEMBL568803 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccs2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C28H35N3O2S/c1-3-30(4-2)28(33)22-10-12-23(13-11-22)31(25-7-5-8-26(32)21-25)24-14-17-29(18-15-24)19-16-27-9-6-20-34-27/h5-13,20-21,24,32H,3-4,14-19H2,1-2H3 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302761
(CHEMBL569006 | N,N-diethyl-4-((1-(3-fluorophenethy...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccc(F)c2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302762
(CHEMBL576267 | N,N-diethyl-4-((1-(2-fluorophenethy...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2F)CC1)c1cccc(O)c1 Show InChI InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-12-14-25(15-13-24)34(27-9-7-10-28(35)22-27)26-17-20-32(21-18-26)19-16-23-8-5-6-11-29(23)31/h5-15,22,26,35H,3-4,16-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50120056
(15-Amino-1-methyl-10-thia-tricyclo[7.5.1.0*2,7*]pe...)Show InChI InChI=1S/C15H21NOS/c1-15-6-2-3-7-18-13(14(15)16)8-10-4-5-11(17)9-12(10)15/h4-5,9,13-14,17H,2-3,6-8,16H2,1H3/t13-,14?,15+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302766
(4-((1-(2-cyclopropylethyl)piperidin-4-yl)(3-hydrox...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CC2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-3-29(4-2)27(32)22-10-12-23(13-11-22)30(25-6-5-7-26(31)20-25)24-15-18-28(19-16-24)17-14-21-8-9-21/h5-7,10-13,20-21,24,31H,3-4,8-9,14-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302769
(CHEMBL571324 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(C)CC1)c1cccc(O)c1 Show InChI InChI=1S/C23H31N3O2/c1-4-25(5-2)23(28)18-9-11-19(12-10-18)26(20-13-15-24(3)16-14-20)21-7-6-8-22(27)17-21/h6-12,17,20,27H,4-5,13-16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302768
(4-((1-(but-3-enyl)piperidin-4-yl)(3-hydroxyphenyl)...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC=C)CC1)c1cccc(O)c1 Show InChI InChI=1S/C26H35N3O2/c1-4-7-17-27-18-15-23(16-19-27)29(24-9-8-10-25(30)20-24)22-13-11-21(12-14-22)26(31)28(5-2)6-3/h4,8-14,20,23,30H,1,5-7,15-19H2,2-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302777
(CHEMBL569529 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccncc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C29H36N4O2/c1-3-32(4-2)29(35)24-8-10-25(11-9-24)33(27-6-5-7-28(34)22-27)26-15-20-31(21-16-26)19-14-23-12-17-30-18-13-23/h5-13,17-18,22,26,34H,3-4,14-16,19-21H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50281663
(10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(...)Show SMILES CC[C@]12CCN(CC3CC3)[C@@H]([C@@H]1C)C(=O)c1ccc(O)cc21 |TLB:6:5:13.21.15:11| Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested in vitro for binding affinity against mu opioid receptor |
Bioorg Med Chem Lett 3: 841-846 (1993)
Article DOI: 10.1016/S0960-894X(00)80677-0
BindingDB Entry DOI: 10.7270/Q2ST7PS8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50120057
(7-Amino-8,8-dimethyl-6-methylsulfanyl-5,6,7,8-tetr...)Show InChI InChI=1S/C13H19NOS/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1 | PDB
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| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50350976
(CHEMBL1818341)Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] bindin... |
Bioorg Med Chem Lett 24: 2021-32 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50039029
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r| Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302764
(CHEMBL568865 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CC(C)c2ccccc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-27(17-15-26)34(29-12-9-13-30(35)22-29)28-18-20-32(21-19-28)23-24(3)25-10-7-6-8-11-25/h6-17,22,24,28,35H,4-5,18-21,23H2,1-3H3 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50531908
(Btrx-335140 | CYM-53093 | US10676469, Compound 142...)Show SMILES CCc1cc(F)c2nc(N3CCC(CC3)NC3CCOCC3)c(-c3nc(C)no3)c(C)c2c1 Show InChI InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3 | PDB
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| Article
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human KOR |
J Med Chem 62: 1761-1780 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01679
BindingDB Entry DOI: 10.7270/Q2CV4N6Q |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302776
(4-((1-(2-(1H-imidazol-4-yl)ethyl)piperidin-4-yl)(3...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cnc[nH]2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C27H35N5O2/c1-3-31(4-2)27(34)21-8-10-23(11-9-21)32(25-6-5-7-26(33)18-25)24-13-16-30(17-14-24)15-12-22-19-28-20-29-22/h5-11,18-20,24,33H,3-4,12-17H2,1-2H3,(H,28,29) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302778
(CHEMBL570448 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2nccn2C)CC1)c1cccc(O)c1 Show InChI InChI=1S/C28H37N5O2/c1-4-32(5-2)28(35)22-9-11-23(12-10-22)33(25-7-6-8-26(34)21-25)24-13-17-31(18-14-24)19-15-27-29-16-20-30(27)3/h6-12,16,20-21,24,34H,4-5,13-15,17-19H2,1-3H3 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50012152
(CHEMBL3264441)Show SMILES CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H36N2O6/c1-4-35-27(34)25(36-26(33)24-13-19-8-9-23(32)12-20(19)15-29-24)17-30-11-10-28(3,18(2)16-30)21-6-5-7-22(31)14-21/h5-9,12,14,18,24-25,29,31-32H,4,10-11,13,15-17H2,1-3H3/t18-,24+,25?,28+/m0/s1 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes |
Bioorg Med Chem Lett 24: 2021-32 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50120058
(7-Amino-6-methoxy-8,8-dimethyl-5,6,7,8-tetrahydro-...)Show InChI InChI=1S/C13H19NO2/c1-13(2)10-7-9(15)5-4-8(10)6-11(16-3)12(13)14/h4-5,7,11-12,15H,6,14H2,1-3H3/t11-,12-/m1/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50130563
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at mu opioid receptor in guinea pig caudate assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding |
Bioorg Med Chem Lett 24: 2021-32 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302767
(4-((1-(2-cyclohexylethyl)piperidin-4-yl)(3-hydroxy...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCC2CCCCC2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C30H43N3O2/c1-3-32(4-2)30(35)25-13-15-26(16-14-25)33(28-11-8-12-29(34)23-28)27-18-21-31(22-19-27)20-17-24-9-6-5-7-10-24/h8,11-16,23-24,27,34H,3-7,9-10,17-22H2,1-2H3 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50205093
(CHEMBL428017 | LRHYLNLLTRQRY-NH2)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |wU:4.4,77.78,78.81,45.46,95.96,23.22,61.62,115.116,wD:33.33,12.11,84.85,53.54,104.105,69.70,(-3.89,-2.95,;-3.89,-4.49,;-2.56,-5.26,;-5.23,-5.26,;-5.23,-6.8,;-6.56,-7.57,;-7.9,-6.8,;-9.23,-7.57,;-7.9,-5.26,;-3.89,-7.57,;-3.89,-9.11,;-2.56,-6.79,;-1.23,-7.57,;-1.23,-9.11,;.11,-9.88,;.11,-11.42,;1.45,-12.18,;1.44,-13.72,;.1,-14.48,;2.77,-14.48,;.11,-6.8,;.11,-5.26,;1.45,-7.56,;2.78,-6.79,;2.78,-5.25,;4.13,-4.48,;5.53,-5.11,;6.56,-3.96,;5.79,-2.63,;4.28,-2.95,;4.13,-7.56,;4.13,-9.1,;5.45,-6.78,;6.79,-7.54,;6.79,-9.08,;8.12,-9.85,;9.45,-9.08,;10.78,-9.85,;10.78,-11.39,;12.11,-12.16,;9.45,-12.16,;8.12,-11.39,;8.12,-6.77,;8.12,-5.23,;9.45,-7.54,;10.79,-6.77,;10.79,-5.23,;12.13,-4.46,;12.13,-2.92,;13.47,-5.23,;12.13,-7.54,;12.13,-9.08,;13.46,-6.77,;14.79,-7.55,;14.79,-9.09,;16.13,-9.86,;17.46,-9.09,;16.13,-11.4,;16.13,-6.78,;16.13,-5.24,;17.47,-7.55,;18.8,-6.78,;18.8,-5.24,;20.14,-4.47,;20.14,-2.93,;21.47,-5.24,;20.14,-7.55,;20.14,-9.09,;21.47,-6.78,;22.81,-7.55,;22.8,-9.09,;24.14,-9.86,;24.13,-11.4,;25.48,-9.1,;24.15,-6.78,;24.15,-5.24,;25.48,-7.55,;26.82,-6.8,;26.82,-5.26,;25.49,-4.49,;28.14,-4.48,;28.16,-7.57,;28.16,-9.11,;29.49,-6.78,;30.82,-7.56,;30.82,-9.1,;32.16,-9.87,;32.16,-11.41,;33.49,-12.18,;33.52,-13.72,;32.16,-14.47,;34.83,-14.48,;32.16,-6.79,;32.16,-5.25,;33.49,-7.56,;34.84,-6.8,;34.84,-5.26,;36.18,-4.49,;36.18,-2.95,;34.83,-2.18,;37.5,-2.18,;36.18,-7.57,;36.18,-9.11,;37.51,-6.8,;38.84,-7.57,;38.84,-9.11,;40.18,-9.88,;40.18,-11.42,;41.51,-12.19,;41.52,-13.73,;40.18,-14.49,;42.85,-14.49,;40.18,-6.8,;40.18,-5.26,;41.51,-7.57,;42.84,-6.8,;42.84,-5.26,;44.19,-4.49,;45.51,-5.26,;46.85,-4.49,;46.85,-2.95,;48.19,-2.18,;45.51,-2.18,;44.19,-2.95,;44.19,-7.57,;45.51,-6.8,;44.19,-9.11,)| Show InChI InChI=1S/C81H131N27O19/c1-40(2)30-56(96-45(10)110)71(120)98-52(15-12-28-93-80(87)88)69(118)106-61(36-48-38-91-39-95-48)75(124)105-60(35-47-19-23-50(112)24-20-47)74(123)102-58(32-42(5)6)73(122)107-62(37-64(83)114)76(125)103-57(31-41(3)4)72(121)104-59(33-43(7)8)77(126)108-65(44(9)109)78(127)100-53(16-13-29-94-81(89)90)67(116)99-54(25-26-63(82)113)70(119)97-51(14-11-27-92-79(85)86)68(117)101-55(66(84)115)34-46-17-21-49(111)22-18-46/h17-24,38-44,51-62,65,109,111-112H,11-16,25-37H2,1-10H3,(H2,82,113)(H2,83,114)(H2,84,115)(H,91,95)(H,96,110)(H,97,119)(H,98,120)(H,99,116)(H,100,127)(H,101,117)(H,102,123)(H,103,125)(H,104,121)(H,105,124)(H,106,118)(H,107,122)(H,108,126)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t44-,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50012151
(CHEMBL3264440)Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,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
| 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from mu opioid receptor (unknown origin) expressed in CHO cells membranes |
Bioorg Med Chem Lett 24: 2021-32 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445617
(CHEMBL3104112)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C182H293N43O59S/c1-108(2)93-133(164(252)204-127(22-16-50-199-181(191)192)159(247)218-140(101-119-104-195-107-201-119)169(257)217-139(100-118-31-39-123(233)40-32-118)167(255)212-135(95-110(5)6)166(254)220-142(103-148(185)236)171(259)213-136(96-111(7)8)172(260)223-151(112(9)10)175(263)224-152(114(12)229)176(264)209-128(23-17-51-200-182(193)194)156(244)206-129(41-44-146(183)234)160(248)203-125(20-14-48-197-179(187)188)157(245)210-132(153(186)241)97-115-25-33-120(230)34-26-115)214-173(261)143(105-227)221-154(242)113(11)202-163(251)137(98-116-27-35-121(231)36-28-116)216-168(256)138(99-117-29-37-122(232)38-30-117)215-158(246)126(21-15-49-198-180(189)190)205-170(258)141(102-147(184)235)219-165(253)134(94-109(3)4)211-162(250)130(42-45-149(237)238)207-161(249)131(43-46-150(239)240)208-174(262)145-24-18-52-225(145)178(265)144(106-228)222-155(243)124-19-13-47-196-177(124)285-92-91-284-90-89-283-88-87-282-86-85-281-84-83-280-82-81-279-80-79-278-78-77-277-76-75-276-74-73-275-72-71-274-70-69-273-68-67-272-66-65-271-64-63-270-62-61-269-60-59-268-58-57-267-56-55-266-54-53-226/h13,19,25-40,47,104,107-114,125-145,151-152,226-233H,14-18,20-24,41-46,48-103,105-106H2,1-12H3,(H2,183,234)(H2,184,235)(H2,185,236)(H2,186,241)(H,195,201)(H,202,251)(H,203,248)(H,204,252)(H,205,258)(H,206,244)(H,207,249)(H,208,262)(H,209,264)(H,210,245)(H,211,250)(H,212,255)(H,213,259)(H,214,261)(H,215,246)(H,216,256)(H,217,257)(H,218,247)(H,219,253)(H,220,254)(H,221,242)(H,222,243)(H,223,260)(H,224,263)(H,237,238)(H,239,240)(H4,187,188,197)(H4,189,190,198)(H4,191,192,199)(H4,193,194,200)/t113-,114+,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,151-,152-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445619
(CHEMBL3104224)Show SMILES CCC(=O)NCCNC(=O)CCCC(=O)NC(=N)NCCC[C@H](NC(=O)CC1(CC(=O)N2CCN(CC2)C2c3ccccc3NC(=O)c3ccccc23)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O |r| Show InChI InChI=1S/C59H73N13O9/c1-2-48(73)61-31-32-62-49(74)26-15-27-50(75)67-56(60)64-30-16-25-47(55(79)63-33-34-70-57(80)71(41-17-5-3-6-18-41)72(58(70)81)42-19-7-4-8-20-42)65-51(76)39-59(28-13-14-29-59)40-52(77)68-35-37-69(38-36-68)53-43-21-9-10-22-44(43)54(78)66-46-24-12-11-23-45(46)53/h3-12,17-24,47,53H,2,13-16,25-40H2,1H3,(H,61,73)(H,62,74)(H,63,79)(H,65,76)(H,66,78)(H3,60,64,67,75)/t47-,53?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY2 receptor (unknown origin) preincubated for 20 mins |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50350976
(CHEMBL1818341)Show SMILES CC(C)CNCc1ccc(cc1)-c1ccccc1S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C21H28N2O2S/c1-17(2)15-22-16-18-9-11-19(12-10-18)20-7-3-4-8-21(20)26(24,25)23-13-5-6-14-23/h3-4,7-12,17,22H,5-6,13-16H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
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 |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] binding |
Bioorg Med Chem Lett 24: 2021-32 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302773
(CHEMBL570645 | N,N-diethyl-4-((3-methoxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2cccs2)CC1)c1cccc(OC)c1 Show InChI InChI=1S/C29H37N3O2S/c1-4-31(5-2)29(33)23-11-13-24(14-12-23)32(26-8-6-9-27(22-26)34-3)25-15-18-30(19-16-25)20-17-28-10-7-21-35-28/h6-14,21-22,25H,4-5,15-20H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302771
(CHEMBL569704 | N,N-diethyl-4-((1-(2-(furan-3-yl)et...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccoc2)CC1)c1cccc(OC)c1 Show InChI InChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)24-9-11-25(12-10-24)32(27-7-6-8-28(21-27)34-3)26-14-18-30(19-15-26)17-13-23-16-20-35-22-23/h6-12,16,20-22,26H,4-5,13-15,17-19H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302774
(CHEMBL569945 | N,N-diethyl-4-((3-methoxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccsc2)CC1)c1cccc(OC)c1 Show InChI InChI=1S/C29H37N3O2S/c1-4-31(5-2)29(33)24-9-11-25(12-10-24)32(27-7-6-8-28(21-27)34-3)26-14-18-30(19-15-26)17-13-23-16-20-35-22-23/h6-12,16,20-22,26H,4-5,13-15,17-19H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50120053
(7-Amino-6-ethyl-8,8-dimethyl-5,6,7,8-tetrahydro-na...)Show InChI InChI=1S/C14H21NO/c1-4-9-7-10-5-6-11(16)8-12(10)14(2,3)13(9)15/h5-6,8-9,13,16H,4,7,15H2,1-3H3/t9-,13-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity for Opioid receptor mu 1 |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302770
(4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ncc[nH]2)CC1)c1cccc(OC)c1 Show InChI InChI=1S/C28H37N5O2/c1-4-32(5-2)28(34)22-9-11-23(12-10-22)33(25-7-6-8-26(21-25)35-3)24-13-18-31(19-14-24)20-15-27-29-16-17-30-27/h6-12,16-17,21,24H,4-5,13-15,18-20H2,1-3H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50012151
(CHEMBL3264440)Show SMILES C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 |r| Show InChI InChI=1S/C26H34N2O4/c1-18-17-28(11-9-26(18,2)21-5-3-6-22(29)15-21)10-4-12-32-25(31)24-14-19-7-8-23(30)13-20(19)16-27-24/h3,5-8,13,15,18,24,27,29-30H,4,9-12,14,16-17H2,1-2H3/t18-,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
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes |
Bioorg Med Chem Lett 24: 2021-32 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50445618
(CHEMBL3104111)Show SMILES CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)NCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:68.69,84.84,106.108,122.124,131.134,138.140,139.143,156.158,176.178,22.22,26.31,35.40,44.53,wD:73.73,94.95,107.110,114.116,130.132,145.147,165.167,(41.62,-23.36,;40.29,-22.59,;38.95,-23.36,;37.62,-22.59,;36.28,-23.36,;34.95,-22.59,;33.62,-23.36,;32.28,-22.59,;30.95,-23.36,;29.62,-22.59,;28.28,-23.36,;26.95,-22.59,;25.62,-23.36,;24.28,-22.59,;22.95,-23.36,;21.61,-22.59,;21.61,-21.05,;20.28,-23.36,;20.28,-24.9,;18.95,-25.67,;18.95,-27.21,;17.61,-27.98,;17.61,-29.52,;16.28,-30.29,;14.95,-29.52,;14.95,-27.98,;13.61,-30.29,;12.28,-29.52,;10.94,-30.29,;9.61,-29.52,;8.28,-30.29,;6.94,-29.52,;13.61,-31.83,;14.95,-32.6,;16.28,-31.83,;14.95,-34.14,;13.61,-34.91,;13.61,-36.45,;12.28,-37.22,;12.28,-38.76,;10.94,-39.53,;16.28,-34.91,;17.61,-34.14,;17.61,-32.6,;18.95,-34.91,;18.95,-36.45,;17.61,-37.22,;16.29,-36.45,;14.95,-37.22,;14.95,-38.76,;13.62,-39.53,;16.3,-39.53,;17.62,-38.76,;20.28,-34.14,;21.61,-34.91,;22.95,-34.14,;21.61,-36.45,;18.95,-30.29,;18.95,-31.83,;20.28,-29.52,;21.61,-30.29,;22.95,-29.52,;24.28,-30.29,;25.62,-29.52,;26.95,-30.29,;28.28,-29.52,;28.28,-27.98,;29.62,-30.29,;30.95,-29.52,;30.95,-27.98,;32.28,-30.29,;32.28,-31.83,;33.62,-29.52,;34.95,-30.29,;34.95,-31.83,;36.28,-32.6,;36.28,-34.14,;37.62,-34.91,;37.62,-36.45,;36.28,-37.22,;38.95,-37.22,;36.28,-29.52,;36.28,-27.98,;37.62,-30.29,;38.95,-29.52,;38.95,-27.98,;40.29,-27.21,;41.7,-27.84,;42.72,-26.69,;41.96,-25.36,;40.45,-25.68,;40.29,-30.29,;40.29,-31.83,;41.62,-29.52,;42.95,-30.29,;42.95,-31.83,;44.29,-32.6,;45.61,-31.83,;46.96,-32.6,;46.95,-34.14,;48.29,-34.91,;45.61,-34.91,;44.29,-34.14,;44.29,-29.52,;44.29,-27.98,;45.62,-30.29,;46.95,-29.52,;46.95,-27.98,;48.29,-27.21,;45.62,-27.21,;45.62,-25.67,;48.29,-30.29,;48.29,-31.83,;49.62,-29.52,;50.95,-30.29,;50.95,-31.83,;52.29,-32.6,;53.62,-31.83,;52.29,-34.14,;52.29,-29.52,;52.29,-27.98,;53.62,-30.29,;54.96,-29.52,;54.96,-27.98,;56.29,-27.21,;56.29,-25.67,;57.62,-27.98,;56.29,-30.29,;56.29,-31.83,;57.62,-29.52,;58.96,-30.29,;58.96,-31.83,;60.29,-32.6,;57.62,-32.6,;57.62,-34.14,;60.29,-29.52,;60.29,-27.98,;61.62,-30.29,;62.96,-29.52,;62.96,-27.98,;61.62,-27.21,;64.29,-27.21,;64.29,-30.29,;64.29,-31.83,;65.63,-29.52,;66.96,-30.29,;66.96,-31.83,;68.29,-32.6,;68.29,-34.14,;69.63,-34.91,;69.63,-36.45,;68.29,-37.22,;70.96,-37.22,;68.29,-29.52,;68.29,-27.98,;69.63,-30.29,;70.96,-29.52,;70.96,-27.98,;72.29,-27.21,;72.29,-25.67,;70.96,-24.9,;73.63,-24.9,;72.29,-30.29,;72.29,-31.83,;73.63,-29.52,;74.96,-30.29,;74.96,-31.83,;76.29,-32.6,;76.29,-34.14,;77.63,-34.91,;77.63,-36.45,;76.29,-37.22,;78.96,-37.22,;76.29,-29.52,;76.29,-27.98,;77.63,-30.29,;78.96,-29.52,;78.96,-27.98,;80.3,-27.21,;81.63,-27.98,;82.96,-27.21,;82.96,-25.67,;84.3,-24.9,;81.63,-24.9,;80.3,-25.67,;80.3,-30.29,;81.63,-29.52,;80.3,-31.83,)| Show InChI InChI=1S/C127H211N35O26/c1-11-14-15-16-17-18-19-20-21-22-23-24-26-44-103(170)140-62-34-30-40-88(149-111(175)89(38-28-31-60-128)150-112(176)90(39-29-32-61-129)152-117(181)97(147-80(10)164)69-82-48-54-86(166)55-49-82)110(174)141-63-33-25-27-45-104(171)146-78(8)109(173)148-91(41-35-64-142-125(133)134)115(179)158-99(71-84-73-139-74-145-84)118(182)157-98(70-83-50-56-87(167)57-51-83)121(185)160-105(76(6)12-2)122(186)159-100(72-102(131)169)119(183)156-96(67-75(4)5)120(184)161-106(77(7)13-3)123(187)162-107(79(9)163)124(188)154-93(43-37-66-144-127(137)138)113(177)153-94(58-59-101(130)168)116(180)151-92(42-36-65-143-126(135)136)114(178)155-95(108(132)172)68-81-46-52-85(165)53-47-81/h46-57,73-79,88-100,105-107,163,165-167H,11-45,58-72,128-129H2,1-10H3,(H2,130,168)(H2,131,169)(H2,132,172)(H,139,145)(H,140,170)(H,141,174)(H,146,171)(H,147,164)(H,148,173)(H,149,175)(H,150,176)(H,151,180)(H,152,181)(H,153,177)(H,154,188)(H,155,178)(H,156,183)(H,157,182)(H,158,179)(H,159,186)(H,160,185)(H,161,184)(H,162,187)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)/t76-,77-,78-,79+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to NPYY2 receptor (unknown origin) |
Bioorg Med Chem Lett 24: 430-41 (2014)
Article DOI: 10.1016/j.bmcl.2013.11.061
BindingDB Entry DOI: 10.7270/Q2H133HQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50012152
(CHEMBL3264441)Show SMILES CCOC(=O)C(CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)OC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H36N2O6/c1-4-35-27(34)25(36-26(33)24-13-19-8-9-23(32)12-20(19)15-29-24)17-30-11-10-28(3,18(2)16-30)21-6-5-7-22(31)14-21/h5-9,12,14,18,24-25,29,31-32H,4,10-11,13,15-17H2,1-3H3/t18-,24+,25?,28+/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
| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from mu opioid receptor (unknown origin) expressed in CHO cells membranes |
Bioorg Med Chem Lett 24: 2021-32 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50012153
(zyklophin)Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(=O)NC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NCc1ccccc1)[C@@H](C)CC |r| Show InChI InChI=1S/C65H96N20O13/c1-3-38(2)54-62(97)83-49(60(95)81-45(21-13-29-73-65(70)71)63(98)85-30-14-22-50(85)61(96)79-43(55(67)90)19-10-11-27-66)35-75-51(87)33-48(59(94)80-44(57(92)84-54)20-12-28-72-64(68)69)82-58(93)47(32-39-15-6-4-7-16-39)78-53(89)37-76-52(88)36-77-56(91)46(31-40-23-25-42(86)26-24-40)74-34-41-17-8-5-9-18-41/h4-9,15-18,23-26,38,43-50,54,74,86H,3,10-14,19-22,27-37,66H2,1-2H3,(H2,67,90)(H,75,87)(H,76,88)(H,77,91)(H,78,89)(H,79,96)(H,80,94)(H,81,95)(H,82,93)(H,83,97)(H,84,92)(H4,68,69,72)(H4,70,71,73)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) expressed in CHO cells membranes |
Bioorg Med Chem Lett 24: 2021-32 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50289794
(CHEMBL292119 | [2-(1H-Indol-3-yl)-1-isobutylcarbam...)Show SMILES CC(C)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OCc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C39H39N5O3/c1-28(2)23-41-37(45)36(22-29-24-40-35-21-13-12-20-34(29)35)43-38(46)47-26-33-25-44(27-42-33)39(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-21,24-25,27-28,36,40H,22-23,26H2,1-2H3,(H,41,45)(H,43,46) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity for human neuromedin B(hNMB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 7: 1957-1962 (1997)
Article DOI: 10.1016/S0960-894X(97)00346-6
BindingDB Entry DOI: 10.7270/Q28W3DSG |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50120056
(15-Amino-1-methyl-10-thia-tricyclo[7.5.1.0*2,7*]pe...)Show InChI InChI=1S/C15H21NOS/c1-15-6-2-3-7-18-13(14(15)16)8-10-4-5-11(17)9-12(10)15/h4-5,9,13-14,17H,2-3,6-8,16H2,1H3/t13-,14?,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for Opioid receptor kappa 1 was determined. |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302772
(CHEMBL570446 | N,N-diethyl-4-((1-(2-(furan-2-yl)et...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccco2)CC1)c1cccc(OC)c1 Show InChI InChI=1S/C29H37N3O3/c1-4-31(5-2)29(33)23-11-13-24(14-12-23)32(26-8-6-9-28(22-26)34-3)25-15-18-30(19-16-25)20-17-27-10-7-21-35-27/h6-14,21-22,25H,4-5,15-20H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50302775
(CHEMBL569084 | N,N-diethyl-4-((3-methoxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccccc2)CC1)c1cccc(OC)c1 Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(35)26-14-16-27(17-15-26)34(29-12-9-13-30(24-29)36-3)28-19-22-32(23-20-28)21-18-25-10-7-6-8-11-25/h6-17,24,28H,4-5,18-23H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shire Biochem
Curated by ChEMBL
| Assay Description
Binding affinity of the compound for Opioid receptor kappa 1 was determined. |
Bioorg Med Chem Lett 12: 3141-3 (2002)
BindingDB Entry DOI: 10.7270/Q21N80GS |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50302763
(CHEMBL569728 | N,N-diethyl-4-((3-hydroxyphenyl)(1-...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)N(C1CCN(CCc2ccc(C)cc2)CC1)c1cccc(O)c1 Show InChI InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-13-15-27(16-14-26)34(29-7-6-8-30(35)23-29)28-18-21-32(22-19-28)20-17-25-11-9-24(3)10-12-25/h6-16,23,28,35H,4-5,17-22H2,1-3H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]FK33824 from human cloned mu opioid receptor |
Bioorg Med Chem Lett 19: 5994-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.072
BindingDB Entry DOI: 10.7270/Q22J6BX8 |
More data for this
Ligand-Target Pair | |
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