Found 149 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254566
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CCc1ccccc1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C23H28N2O/c1-16-21-15-18-8-9-19(22(24)26)14-20(18)23(16,2)11-13-25(21)12-10-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H2,24,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 0.0270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50254568
((2S,6S,11S)-6,11-Dimethyl-3-[(S)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16+,18+,20+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50101160
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50001023
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1 | PDB
Reactome pathway
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PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50254568
((2S,6S,11S)-6,11-Dimethyl-3-[(S)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16+,18+,20+/m1/s1 | PDB
UniProtKB/SwissProt
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UniChem
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| 0.0890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50007102
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1 | PDB
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM60212
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 | PDB
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| DrugBank
Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50045776
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r| Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50240437
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20| Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1 | PDB
NCI pathway
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CHEMBL
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UniChem
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| DrugBank
Article
PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254570
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:10:9:6.24.7:22| Show InChI InChI=1S/C22H30N2O2/c23-20(25)17-7-6-16-13-19-22(26)9-2-1-8-21(22,18(16)12-17)10-11-24(19)14-15-4-3-5-15/h6-7,12,15,19,26H,1-5,8-11,13-14H2,(H2,23,25)/t19-,21+,22-/m1/s1 | PDB
NCI pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001023
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1 | PDB
NCI pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50007102
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1 | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001709
(4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9...)Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1 | PDB
NCI pathway
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PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50367061
(NALORPHINE | NALORPHINE HYDROCHLORIDE)Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17| Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 | PDB
NCI pathway
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PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM60212
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 | PDB
Reactome pathway
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DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50027791
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1 |TLB:16:15:1:4.10.3,9:10:1:15.14.13| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3 | PDB
NCI pathway
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CHEMBL
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254511
(CHEMBL468469 | Naltrexone-6-alpha-ol)Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1 | PDB
NCI pathway
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50026603
(Buprenorphine | CHEBI:3216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| DrugBank
PC cid
PC sid
UniChem
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| DrugBank
Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50240437
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20| Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1 | PDB
Reactome pathway
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UniChem
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| DrugBank
Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50101160
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22) | PDB
NCI pathway
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50128411
(3-desoxy-3-carboxamidonaltrexone | 4-cyclopropylme...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C21H24N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,15,18,26H,1-2,5-10H2,(H2,22,25)/t15-,18+,20+,21-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50367061
(NALORPHINE | NALORPHINE HYDROCHLORIDE)Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17| Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 | PDB
Reactome pathway
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KEGG
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| Article
PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254570
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:10:9:6.24.7:22| Show InChI InChI=1S/C22H30N2O2/c23-20(25)17-7-6-16-13-19-22(26)9-2-1-8-21(22,18(16)12-17)10-11-24(19)14-15-4-3-5-15/h6-7,12,15,19,26H,1-5,8-11,13-14H2,(H2,23,25)/t19-,21+,22-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50045776
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r| Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1 | PDB
NCI pathway
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| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50001709
(4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9...)Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1 | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254566
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CCc1ccccc1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C23H28N2O/c1-16-21-15-18-8-9-19(22(24)26)14-20(18)23(16,2)11-13-25(21)12-10-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H2,24,26) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254511
(CHEMBL468469 | Naltrexone-6-alpha-ol)Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1 | PDB
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50045114
(3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...)Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3| 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 | PDB
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50026603
(Buprenorphine | CHEBI:3216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
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
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| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50254563
(3-Cyclopropylmethyl-6-ethyl-11-methyl-1-oxo-1,2,3,...)Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(cc21)C(N)=O |TLB:14:13:11:5.4.3,6:5:11:15.20.13,THB:19:20:11:5.4.3| Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24) | PDB
UniProtKB/SwissProt
B.MOAD
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 |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50128411
(3-desoxy-3-carboxamidonaltrexone | 4-cyclopropylme...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C21H24N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,15,18,26H,1-2,5-10H2,(H2,22,25)/t15-,18+,20+,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254514
((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...)Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1 | PDB
NCI pathway
Reactome pathway
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UniChem
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PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50045114
(3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...)Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3| 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 | PDB
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PC sid
UniChem
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PubMed
| 0.780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | 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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PDB
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| Article
PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50027366
(Ketazocine | US10081602, Example Ketazocine | US10...)Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7| Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1 | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50254563
(3-Cyclopropylmethyl-6-ethyl-11-methyl-1-oxo-1,2,3,...)Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(cc21)C(N)=O |TLB:14:13:11:5.4.3,6:5:11:15.20.13,THB:19:20:11:5.4.3| Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254566
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CCc1ccccc1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C23H28N2O/c1-16-21-15-18-8-9-19(22(24)26)14-20(18)23(16,2)11-13-25(21)12-10-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H2,24,26) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-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
Reactome pathway
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DrugBank
MCE
KEGG
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UniChem
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| DrugBank
Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50254510
(3-Cyclopropylmethyl-6,11-dimethyl-1-oxo-1,2,3,4,5,...)Show SMILES CC1C2N(CC3CC3)CCC1(C)c1cc(ccc1C2=O)C(N)=O |TLB:13:12:1:3.8.9,4:3:1:17.12.18,THB:19:18:1:3.8.9| Show InChI InChI=1S/C19H24N2O2/c1-11-16-17(22)14-6-5-13(18(20)23)9-15(14)19(11,2)7-8-21(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10H2,1-2H3,(H2,20,23) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50254569
((2S,6S,11S)-6,11-Dimethyl-3-[(R)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1 |r,TLB:16:15:1:4.10.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19+/m1/s1 | PDB
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UniChem
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PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254565
(3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2C)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C16H22N2O/c1-10-14-9-11-4-5-12(15(17)19)8-13(11)16(10,2)6-7-18(14)3/h4-5,8,10,14H,6-7,9H2,1-3H3,(H2,17,19) | PDB
NCI pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50254510
(3-Cyclopropylmethyl-6,11-dimethyl-1-oxo-1,2,3,4,5,...)Show SMILES CC1C2N(CC3CC3)CCC1(C)c1cc(ccc1C2=O)C(N)=O |TLB:13:12:1:3.8.9,4:3:1:17.12.18,THB:19:18:1:3.8.9| Show InChI InChI=1S/C19H24N2O2/c1-11-16-17(22)14-6-5-13(18(20)23)9-15(14)19(11,2)7-8-21(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10H2,1-2H3,(H2,20,23) | PDB
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UniChem
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PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50027791
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1 |TLB:16:15:1:4.10.3,9:10:1:15.14.13| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3 | PDB
Reactome pathway
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CHEMBL
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PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001023
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254573
((1S,5R,13S,17S)-4-(cyclopropylmethyl)-17-hydroxy-1...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r| Show InChI InChI=1S/C22H26N2O3/c1-12-6-7-22(26)16-10-14-4-5-15(20(23)25)18-17(14)21(22,19(12)27-18)8-9-24(16)11-13-2-3-13/h4-5,13,16,19,26H,1-3,6-11H2,(H2,23,25)/t16-,19+,21+,22-/m1/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254514
((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...)Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254572
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-14,17-di...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](O)CC[C@@]35O |r| Show InChI InChI=1S/C21H26N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,14-15,18,24,26H,1-2,5-10H2,(H2,22,25)/t14-,15-,18+,20+,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254573
((1S,5R,13S,17S)-4-(cyclopropylmethyl)-17-hydroxy-1...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r| Show InChI InChI=1S/C22H26N2O3/c1-12-6-7-22(26)16-10-14-4-5-15(20(23)25)18-17(14)21(22,19(12)27-18)8-9-24(16)11-13-2-3-13/h4-5,13,16,19,26H,1-3,6-11H2,(H2,23,25)/t16-,19+,21+,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
NCI pathway
Reactome pathway
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PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50254509
((2S,6S,11S)-6,11-Dimethyl-3-[(R)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16-,18+,20+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50254509
((2S,6S,11S)-6,11-Dimethyl-3-[(R)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16-,18+,20+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50026603
(Buprenorphine | CHEBI:3216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| DrugBank
PC cid
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UniChem
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| DrugBank
Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50001033
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)Show SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50027366
(Ketazocine | US10081602, Example Ketazocine | US10...)Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7| Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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UniChem
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50367062
(METAZOCINE)Show SMILES C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |THB:16:15:1:4.10.3| Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14-,15+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50254569
((2S,6S,11S)-6,11-Dimethyl-3-[(R)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1 |r,TLB:16:15:1:4.10.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
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PC cid
PC sid
UniChem
Similars
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PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254571
((1S,5R,13R,17S)-17-hydroxy-14-oxo-4-(prop-2-en-1-y...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H22N2O4/c1-2-8-22-9-7-19-15-11-3-4-12(18(21)24)16(15)26-17(19)13(23)5-6-20(19,25)14(22)10-11/h2-4,14,17,25H,1,5-10H2,(H2,21,24)/t14-,17+,19+,20-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50027791
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1 |TLB:16:15:1:4.10.3,9:10:1:15.14.13| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3 | PDB
Reactome pathway
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CHEMBL
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PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50101160
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22) | PDB
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254507
(CHEMBL461227 | US10287250, Compound B.11 | US10752...)Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#7])=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O/c1-13(2)7-9-22-10-8-20(4)14(3)18(22)12-15-5-6-16(19(21)23)11-17(15)20/h5-7,11,14,18H,8-10,12H2,1-4H3,(H2,21,23)/t14-,18+,20+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254507
(CHEMBL461227 | US10287250, Compound B.11 | US10752...)Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#7])=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O/c1-13(2)7-9-22-10-8-20(4)14(3)18(22)12-15-5-6-16(19(21)23)11-17(15)20/h5-7,11,14,18H,8-10,12H2,1-4H3,(H2,21,23)/t14-,18+,20+/m0/s1 | PDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001033
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)Show SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254512
((1S,5R,13R,14S,17S)-4-(cyclopropylmethyl)-14,17-di...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O |r| Show InChI InChI=1S/C21H26N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,14-15,18,24,26H,1-2,5-10H2,(H2,22,25)/t14-,15+,18-,20-,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50176263
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50045776
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r| Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1 | PDB
Reactome pathway
KEGG
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CHEMBL
MCE
KEGG
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| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50176259
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 | PDB
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| DrugBank
Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254516
(CHEMBL443601 | rel-3-((1R,2R)-2-((dimethylamino)me...)Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C16H24N2O2/c1-18(2)11-14-7-3-4-9-16(14,20)13-8-5-6-12(10-13)15(17)19/h5-6,8,10,14,20H,3-4,7,9,11H2,1-2H3,(H2,17,19)/t14-,16+/m1/s1 | PDB
NCI pathway
Reactome pathway
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| Article
PubMed
| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50367062
(METAZOCINE)Show SMILES C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |THB:16:15:1:4.10.3| Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14-,15+/m0/s1 | PDB
Reactome pathway
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PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50240437
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20| Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1 | PDB
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PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254570
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:10:9:6.24.7:22| Show InChI InChI=1S/C22H30N2O2/c23-20(25)17-7-6-16-13-19-22(26)9-2-1-8-21(22,18(16)12-17)10-11-24(19)14-15-4-3-5-15/h6-7,12,15,19,26H,1-5,8-11,13-14H2,(H2,23,25)/t19-,21+,22-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176259
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 | PDB
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| DrugBank
Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254575
((1S,5R,13S,14S,17R)-14-hydroxy-4-(prop-2-en-1-yl)-...)Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@H]5Oc1c2[C@]45CCN3CC=C |r,c:10| Show InChI InChI=1S/C20H22N2O3/c1-2-8-22-9-7-20-13-5-6-15(23)18(20)25-17-12(19(21)24)4-3-11(16(17)20)10-14(13)22/h2-6,13-15,18,23H,1,7-10H2,(H2,21,24)/t13-,14+,15-,18+,20-/m0/s1 | PDB
NCI pathway
Reactome pathway
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PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254565
(3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2C)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C16H22N2O/c1-10-14-9-11-4-5-12(15(17)19)8-13(11)16(10,2)6-7-18(14)3/h4-5,8,10,14H,6-7,9H2,1-3H3,(H2,17,19) | PDB
Reactome pathway
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PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254515
((1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropyl...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1NC2C(C[C@@]4(O)[C@H]6Cc7ccc(C(N)=O)c8O[C@@H]2[C@]4(CCN6CC2CC2)c78)C1C[C@@]35O |r| Show InChI InChI=1S/C42H49N5O6/c43-37(48)23-7-5-21-13-27-41(50)15-25-26-16-42(51)28-14-22-6-8-24(38(44)49)34-30(22)40(42,10-12-47(28)18-20-3-4-20)36(53-34)32(26)45-31(25)35-39(41,29(21)33(23)52-35)9-11-46(27)17-19-1-2-19/h5-8,19-20,25-28,31-32,35-36,45,50-51H,1-4,9-18H2,(H2,43,48)(H2,44,49)/t25?,26?,27-,28-,31?,32?,35+,36+,39+,40+,41-,42-/m1/s1 | PDB
Reactome pathway
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PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | 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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PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM82551
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r| Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254572
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-14,17-di...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](O)CC[C@@]35O |r| Show InChI InChI=1S/C21H26N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,14-15,18,24,26H,1-2,5-10H2,(H2,22,25)/t14-,15-,18+,20+,21-/m1/s1 | PDB
Reactome pathway
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PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50254564
((1S,5R,13R,14S,17R)-14-hydroxy-4-methyl-12-oxa-4-a...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5C(N)=O |r,c:16| Show InChI InChI=1S/C18H20N2O3/c1-20-7-6-18-11-4-5-13(21)16(18)23-15-10(17(19)22)3-2-9(14(15)18)8-12(11)20/h2-5,11-13,16,21H,6-8H2,1H3,(H2,19,22)/t11-,12+,13-,16-,18-/m0/s1 | PDB
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254571
((1S,5R,13R,17S)-17-hydroxy-14-oxo-4-(prop-2-en-1-y...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H22N2O4/c1-2-8-22-9-7-19-15-11-3-4-12(18(21)24)16(15)26-17(19)13(23)5-6-20(19,25)14(22)10-11/h2-4,14,17,25H,1,5-10H2,(H2,21,24)/t14-,17+,19+,20-/m1/s1 | PDB
Reactome pathway
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001709
(4-cyclopropylmethyl-(13R)-12-oxa-4-azapentacyclo[9...)Show SMILES O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1 | PDB
Reactome pathway
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254514
((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...)Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1 | PDB
Reactome pathway
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254511
(CHEMBL468469 | Naltrexone-6-alpha-ol)Show SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1 | PDB
Reactome pathway
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PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM60212
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1 | PDB
Reactome pathway
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Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254573
((1S,5R,13S,17S)-4-(cyclopropylmethyl)-17-hydroxy-1...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r| Show InChI InChI=1S/C22H26N2O3/c1-12-6-7-22(26)16-10-14-4-5-15(20(23)25)18-17(14)21(22,19(12)27-18)8-9-24(16)11-13-2-3-13/h4-5,13,16,19,26H,1-3,6-11H2,(H2,23,25)/t16-,19+,21+,22-/m1/s1 | PDB
Reactome pathway
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PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254575
((1S,5R,13S,14S,17R)-14-hydroxy-4-(prop-2-en-1-yl)-...)Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@H]5Oc1c2[C@]45CCN3CC=C |r,c:10| Show InChI InChI=1S/C20H22N2O3/c1-2-8-22-9-7-20-13-5-6-15(23)18(20)25-17-12(19(21)24)4-3-11(16(17)20)10-14(13)22/h2-6,13-15,18,23H,1,7-10H2,(H2,21,24)/t13-,14+,15-,18+,20-/m0/s1 | PDB
Reactome pathway
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PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254512
((1S,5R,13R,14S,17S)-4-(cyclopropylmethyl)-14,17-di...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O |r| Show InChI InChI=1S/C21H26N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,14-15,18,24,26H,1-2,5-10H2,(H2,22,25)/t14-,15+,18-,20-,21+/m0/s1 | PDB
Reactome pathway
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PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50367061
(NALORPHINE | NALORPHINE HYDROCHLORIDE)Show SMILES O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 |r,c:2,TLB:3:4:22.7.6:18.16.17| Show InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 | PDB
Reactome pathway
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PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-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
Reactome pathway
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| DrugBank
Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50367062
(METAZOCINE)Show SMILES C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |THB:16:15:1:4.10.3| Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14-,15+/m0/s1 | PDB
Reactome pathway
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PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50001033
((-)-Pentazocine | 3-But-2-enyl-6,11-dimethyl-1,2,3...)Show SMILES [H][C@]12[#6]-c3ccc(-[#8])cc3[C@]([#6])([#6]-[#6]-[#7]1-[#6]\[#6]=[#6](/[#6])-[#6])[#6@@H]2-[#6] |r,TLB:21:20:9.3.2:12.13.14| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18-,19-/m1/s1 | PDB
Reactome pathway
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PC sid
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Similars
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PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254507
(CHEMBL461227 | US10287250, Compound B.11 | US10752...)Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#7])=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O/c1-13(2)7-9-22-10-8-20(4)14(3)18(22)12-15-5-6-16(19(21)23)11-17(15)20/h5-7,11,14,18H,8-10,12H2,1-4H3,(H2,21,23)/t14-,18+,20+/m0/s1 | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254565
(3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2C)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C16H22N2O/c1-10-14-9-11-4-5-12(15(17)19)8-13(11)16(10,2)6-7-18(14)3/h4-5,8,10,14H,6-7,9H2,1-3H3,(H2,17,19) | PDB
Reactome pathway
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PC sid
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PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254516
(CHEMBL443601 | rel-3-((1R,2R)-2-((dimethylamino)me...)Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C16H24N2O2/c1-18(2)11-14-7-3-4-9-16(14,20)13-8-5-6-12(10-13)15(17)19/h5-6,8,10,14,20H,3-4,7,9,11H2,1-2H3,(H2,17,19)/t14-,16+/m1/s1 | PDB
Reactome pathway
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PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254515
((1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropyl...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1NC2C(C[C@@]4(O)[C@H]6Cc7ccc(C(N)=O)c8O[C@@H]2[C@]4(CCN6CC2CC2)c78)C1C[C@@]35O |r| Show InChI InChI=1S/C42H49N5O6/c43-37(48)23-7-5-21-13-27-41(50)15-25-26-16-42(51)28-14-22-6-8-24(38(44)49)34-30(22)40(42,10-12-47(28)18-20-3-4-20)36(53-34)32(26)45-31(25)35-39(41,29(21)33(23)52-35)9-11-46(27)17-19-1-2-19/h5-8,19-20,25-28,31-32,35-36,45,50-51H,1-4,9-18H2,(H2,43,48)(H2,44,49)/t25?,26?,27-,28-,31?,32?,35+,36+,39+,40+,41-,42-/m1/s1 | PDB
NCI pathway
Reactome pathway
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PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50176263
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1 | PDB
Reactome pathway
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PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50128411
(3-desoxy-3-carboxamidonaltrexone | 4-cyclopropylme...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C21H24N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,15,18,26H,1-2,5-10H2,(H2,22,25)/t15-,18+,20+,21-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254515
((1S,2S,7S,8R,12S,20R,24R,32R)-9,33-bis(cyclopropyl...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C1NC2C(C[C@@]4(O)[C@H]6Cc7ccc(C(N)=O)c8O[C@@H]2[C@]4(CCN6CC2CC2)c78)C1C[C@@]35O |r| Show InChI InChI=1S/C42H49N5O6/c43-37(48)23-7-5-21-13-27-41(50)15-25-26-16-42(51)28-14-22-6-8-24(38(44)49)34-30(22)40(42,10-12-47(28)18-20-3-4-20)36(53-34)32(26)45-31(25)35-39(41,29(21)33(23)52-35)9-11-46(27)17-19-1-2-19/h5-8,19-20,25-28,31-32,35-36,45,50-51H,1-4,9-18H2,(H2,43,48)(H2,44,49)/t25?,26?,27-,28-,31?,32?,35+,36+,39+,40+,41-,42-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254571
((1S,5R,13R,17S)-17-hydroxy-14-oxo-4-(prop-2-en-1-y...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r| Show InChI InChI=1S/C20H22N2O4/c1-2-8-22-9-7-19-15-11-3-4-12(18(21)24)16(15)26-17(19)13(23)5-6-20(19,25)14(22)10-11/h2-4,14,17,25H,1,5-10H2,(H2,21,24)/t14-,17+,19+,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50176259
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50254564
((1S,5R,13R,14S,17R)-14-hydroxy-4-methyl-12-oxa-4-a...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5C(N)=O |r,c:16| Show InChI InChI=1S/C18H20N2O3/c1-20-7-6-18-11-4-5-13(21)16(18)23-15-10(17(19)22)3-2-9(14(15)18)8-12(11)20/h2-5,11-13,16,21H,6-8H2,1H3,(H2,19,22)/t11-,12+,13-,16-,18-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254516
(CHEMBL443601 | rel-3-((1R,2R)-2-((dimethylamino)me...)Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C16H24N2O2/c1-18(2)11-14-7-3-4-9-16(14,20)13-8-5-6-12(10-13)15(17)19/h5-6,8,10,14,20H,3-4,7,9,11H2,1-2H3,(H2,17,19)/t14-,16+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50176263
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254572
((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-14,17-di...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@H](O)CC[C@@]35O |r| Show InChI InChI=1S/C21H26N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,14-15,18,24,26H,1-2,5-10H2,(H2,22,25)/t14-,15-,18+,20+,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254512
((1S,5R,13R,14S,17S)-4-(cyclopropylmethyl)-14,17-di...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O |r| Show InChI InChI=1S/C21H26N2O4/c22-19(25)13-4-3-12-9-15-21(26)6-5-14(24)18-20(21,16(12)17(13)27-18)7-8-23(15)10-11-1-2-11/h3-4,11,14-15,18,24,26H,1-2,5-10H2,(H2,22,25)/t14-,15+,18-,20-,21+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50254575
((1S,5R,13S,14S,17R)-14-hydroxy-4-(prop-2-en-1-yl)-...)Show SMILES NC(=O)c1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@H]5Oc1c2[C@]45CCN3CC=C |r,c:10| Show InChI InChI=1S/C20H22N2O3/c1-2-8-22-9-7-20-13-5-6-15(23)18(20)25-17-12(19(21)24)4-3-11(16(17)20)10-14(13)22/h2-6,13-15,18,23H,1,7-10H2,(H2,21,24)/t13-,14+,15-,18+,20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50026603
(Buprenorphine | CHEBI:3216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254514
((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...)Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001023
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50240437
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20| Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50101160
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50026603
(Buprenorphine | CHEBI:3216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50007102
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254565
(3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2C)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C16H22N2O/c1-10-14-9-11-4-5-12(15(17)19)8-13(11)16(10,2)6-7-18(14)3/h4-5,8,10,14H,6-7,9H2,1-3H3,(H2,17,19) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254570
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:10:9:6.24.7:22| Show InChI InChI=1S/C22H30N2O2/c23-20(25)17-7-6-16-13-19-22(26)9-2-1-8-21(22,18(16)12-17)10-11-24(19)14-15-4-3-5-15/h6-7,12,15,19,26H,1-5,8-11,13-14H2,(H2,23,25)/t19-,21+,22-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254568
((2S,6S,11S)-6,11-Dimethyl-3-[(S)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16+,18+,20+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50027366
(Ketazocine | US10081602, Example Ketazocine | US10...)Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7| Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254514
((1S,2R,6S,14R,15S,16R)-3-(cyclopropylmethyl)-16-[(...)Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(C(N)=O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C30H42N2O4/c1-26(2,3)27(4,34)20-15-28-10-11-30(20,35-5)25-29(28)12-13-32(16-17-6-7-17)21(28)14-18-8-9-19(24(31)33)23(36-25)22(18)29/h8-9,17,20-21,25,34H,6-7,10-16H2,1-5H3,(H2,31,33)/t20-,21-,25-,27-,28-,29+,30+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254510
(3-Cyclopropylmethyl-6,11-dimethyl-1-oxo-1,2,3,4,5,...)Show SMILES CC1C2N(CC3CC3)CCC1(C)c1cc(ccc1C2=O)C(N)=O |TLB:13:12:1:3.8.9,4:3:1:17.12.18,THB:19:18:1:3.8.9| Show InChI InChI=1S/C19H24N2O2/c1-11-16-17(22)14-6-5-13(18(20)23)9-15(14)19(11,2)7-8-21(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10H2,1-2H3,(H2,20,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254509
((2S,6S,11S)-6,11-Dimethyl-3-[(R)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16-,18+,20+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254566
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CCc1ccccc1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C23H28N2O/c1-16-21-15-18-8-9-19(22(24)26)14-20(18)23(16,2)11-13-25(21)12-10-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H2,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254566
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CCc1ccccc1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C23H28N2O/c1-16-21-15-18-8-9-19(22(24)26)14-20(18)23(16,2)11-13-25(21)12-10-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H2,24,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254510
(3-Cyclopropylmethyl-6,11-dimethyl-1-oxo-1,2,3,4,5,...)Show SMILES CC1C2N(CC3CC3)CCC1(C)c1cc(ccc1C2=O)C(N)=O |TLB:13:12:1:3.8.9,4:3:1:17.12.18,THB:19:18:1:3.8.9| Show InChI InChI=1S/C19H24N2O2/c1-11-16-17(22)14-6-5-13(18(20)23)9-15(14)19(11,2)7-8-21(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10H2,1-2H3,(H2,20,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50101160
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50027366
(Ketazocine | US10081602, Example Ketazocine | US10...)Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7| Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50026603
(Buprenorphine | CHEBI:3216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50027366
(Ketazocine | US10081602, Example Ketazocine | US10...)Show SMILES [H][C@@]12[C@H](C)[C@@](C)(CCN1CC1CC1)c1cc(O)ccc1C2=O |TLB:3:2:20.13.19:8.6.7| Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254566
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CCc1ccccc1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C23H28N2O/c1-16-21-15-18-8-9-19(22(24)26)14-20(18)23(16,2)11-13-25(21)12-10-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H2,24,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50001023
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50000296
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50007102
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50007102
(6,11-Dimethyl-3-(tetrahydro-furan-2-ylmethyl)-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |THB:16:15:1:10.4.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254565
(3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2C)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C16H22N2O/c1-10-14-9-11-4-5-12(15(17)19)8-13(11)16(10,2)6-7-18(14)3/h4-5,8,10,14H,6-7,9H2,1-3H3,(H2,17,19) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50101160
(3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexa...)Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(N)=O |TLB:8:9:1:14.13.12,15:14:1:4.9.3| Show InChI InChI=1S/C19H26N2O/c1-12-17-10-14-5-6-15(18(20)22)9-16(14)19(12,2)7-8-21(17)11-13-3-4-13/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3,(H2,20,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254510
(3-Cyclopropylmethyl-6,11-dimethyl-1-oxo-1,2,3,4,5,...)Show SMILES CC1C2N(CC3CC3)CCC1(C)c1cc(ccc1C2=O)C(N)=O |TLB:13:12:1:3.8.9,4:3:1:17.12.18,THB:19:18:1:3.8.9| Show InChI InChI=1S/C19H24N2O2/c1-11-16-17(22)14-6-5-13(18(20)23)9-15(14)19(11,2)7-8-21(16)10-12-3-4-12/h5-6,9,11-12,16H,3-4,7-8,10H2,1-2H3,(H2,20,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254509
((2S,6S,11S)-6,11-Dimethyl-3-[(R)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16-,18+,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM21015
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50367062
(METAZOCINE)Show SMILES C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |THB:16:15:1:4.10.3| Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14-,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50240437
((-)-17-(cyclobutylmethyl)morphinan-3,14-diol | (-)...)Show SMILES Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:8:7:4.22.5:20| Show InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001023
((2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,...)Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1CC1 |TLB:16:15:1:10.4.3| Show InChI InChI=1S/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3/t12-,17+,18+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254570
((1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-az...)Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:10:9:6.24.7:22| Show InChI InChI=1S/C22H30N2O2/c23-20(25)17-7-6-16-13-19-22(26)9-2-1-8-21(22,18(16)12-17)10-11-24(19)14-15-4-3-5-15/h6-7,12,15,19,26H,1-5,8-11,13-14H2,(H2,23,25)/t19-,21+,22-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254569
((2S,6S,11S)-6,11-Dimethyl-3-[(R)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@H]1CCCO1 |r,TLB:16:15:1:4.10.3| Show InChI InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13-,16-,18+,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50254568
((2S,6S,11S)-6,11-Dimethyl-3-[(S)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16+,18+,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50027791
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1 |TLB:16:15:1:4.10.3,9:10:1:15.14.13| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50254509
((2S,6S,11S)-6,11-Dimethyl-3-[(R)-1-(tetrahydro-fur...)Show SMILES C[C@@H]1[C@@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@H]1CCCO1)C(N)=O |r,TLB:15:14:1:4.9.3| Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16-,18+,20+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 101 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50367062
(METAZOCINE)Show SMILES C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C |THB:16:15:1:4.10.3| Show InChI InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3/t10-,14-,15+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50026603
(Buprenorphine | CHEBI:3216)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)C(C)(C)C)ccc3O |r,TLB:25:17:4.5.6:9.15.14,18:17:4.5.6:9.15.14,THB:10:9:17:4.5.6,3:4:17:9.15.14,26:23:16.1:18.19| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50027791
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)Show SMILES CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1 |TLB:16:15:1:4.10.3,9:10:1:15.14.13| Show InChI InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.10 | n/a | n/a | n/a | n/a |
Rensselaer Polytechnic Institute
Curated by ChEMBL
| Assay Description
Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 19: 203-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K |
More data for this
Ligand-Target Pair | |
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