Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50047110 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
(Rattus norvegicus (rat)) | BDBM50148869
(CHEMBL3770643)Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148910
(CHEMBL3770668)Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148909
(CHEMBL3770677)Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r| Show InChI InChI=1S/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148868
(CHEMBL3770024)Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50148869
(CHEMBL3770643)Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148869
(CHEMBL3770643)Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148910
(CHEMBL3770668)Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50148910
(CHEMBL3770668)Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50148868
(CHEMBL3770024)Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148909
(CHEMBL3770677)Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r| Show InChI InChI=1S/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148912
(CHEMBL3770284)Show SMILES N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148868
(CHEMBL3770024)Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50148909
(CHEMBL3770677)Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r| Show InChI InChI=1S/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148912
(CHEMBL3770284)Show SMILES N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50148912
(CHEMBL3770284)Show SMILES N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50148868
(CHEMBL3770024)Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50148869
(CHEMBL3770643)Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/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 | 1.20E+3 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50148909
(CHEMBL3770677)Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r| Show InChI InChI=1S/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/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 | 370 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50148910
(CHEMBL3770668)Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148910
(CHEMBL3770668)Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 44 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148909
(CHEMBL3770677)Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r| Show InChI InChI=1S/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148909
(CHEMBL3770677)Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r| Show InChI InChI=1S/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Agonist activity at rat DOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148868
(CHEMBL3770024)Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50148869
(CHEMBL3770643)Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r| Show InChI InChI=1S/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description
Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay |
ACS Med Chem Lett 6: 1199-203 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5 |
More data for this
Ligand-Target Pair | |
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