Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50046330 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106348
(CHEMBL610012)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C27H26N2O3/c30-20-8-7-17-12-21-27(31)13-18-11-16-3-1-2-4-19(16)28-23(18)25-26(27,22(17)24(20)32-25)9-10-29(21)14-15-5-6-15/h1-4,7-8,11,15,21,25,30-31H,5-6,9-10,12-14H2/t21-,25+,26+,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50370067
(CHEMBL1237164)Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106352
(CHEMBL3596364)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14| Show InChI InChI=1S/C25H26N2O3.ClH/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21;/h3-8,19,23,26,28-29H,2,9-13H2,1H3;1H/t19-,23+,24+,25-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106350
(CHEMBL3596369)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14| Show InChI InChI=1S/C26H26N2O3.ClH/c1-2-10-28-11-9-25-21-16-7-8-19(29)23(21)31-24(25)22-17(14-26(25,30)20(28)13-16)12-15-5-3-4-6-18(15)27-22;/h3-8,12,20,24,29-30H,2,9-11,13-14H2,1H3;1H/t20?,24-,25-,26+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 313 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106344
(CHEMBL3596365)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:29:6:17:10.15.14,4:5:17:10.15.14| Show InChI InChI=1S/C24H23FN2O3.ClH/c25-8-10-27-9-7-23-19-13-5-6-17(28)21(19)30-22(23)20-15(12-24(23,29)18(27)11-13)14-3-1-2-4-16(14)26-20;/h1-6,18,22,26,28-29H,7-12H2;1H/t18-,22+,23+,24-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 397 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106353
(CHEMBL3596363)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:28:6:16:10.14.13,4:5:16:10.14.13| Show InChI InChI=1S/C24H24N2O3.ClH/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20;/h3-8,18,22,25,27-28H,2,9-12H2,1H3;1H/t18-,22+,23+,24-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 468 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106349
(CHEMBL3596368)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:16:10.14.13,29:6:16:10.14.13| Show InChI InChI=1S/C25H24N2O3.ClH/c1-2-27-10-9-24-20-15-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-15)11-14-5-3-4-6-17(14)26-21;/h3-8,11,19,23,28-29H,2,9-10,12-13H2,1H3;1H/t19?,23-,24-,25+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 477 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106351
(CHEMBL3596370)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CCF)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:17:10.15.14,30:6:17:10.15.14| Show InChI InChI=1S/C25H23FN2O3.ClH/c26-8-10-28-9-7-24-20-15-5-6-18(29)22(20)31-23(24)21-16(13-25(24,30)19(28)12-15)11-14-3-1-2-4-17(14)27-21;/h1-6,11,19,23,29-30H,7-10,12-13H2;1H/t19?,23-,24-,25+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 854 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106355
(CHEMBL3596371)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:18:10.16.15,31:6:18:10.16.15| Show InChI InChI=1S/C25H22F2N2O3.ClH/c26-19(27)12-29-8-7-24-20-14-5-6-17(30)22(20)32-23(24)21-15(11-25(24,31)18(29)10-14)9-13-3-1-2-4-16(13)28-21;/h1-6,9,18-19,23,30-31H,7-8,10-12H2;1H/t18?,23-,24-,25+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106354
(CHEMBL3596372)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1cc4ccccc4nc21)ccc3O |r,TLB:4:5:19:10.17.16,32:6:19:10.17.16| Show InChI InChI=1S/C25H21F3N2O3.ClH/c26-25(27,28)12-30-8-7-23-19-14-5-6-17(31)21(19)33-22(23)20-15(11-24(23,32)18(30)10-14)9-13-3-1-2-4-16(13)29-20;/h1-6,9,18,22,31-32H,7-8,10-12H2;1H/t18?,22-,23-,24+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106346
(CHEMBL3596366)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:30:6:18:10.16.15,4:5:18:10.16.15| Show InChI InChI=1S/C24H22F2N2O3.ClH/c25-18(26)11-28-8-7-23-19-12-5-6-16(29)21(19)31-22(23)20-14(10-24(23,30)17(28)9-12)13-3-1-2-4-15(13)27-20;/h1-6,17-18,22,27,29-30H,7-11H2;1H/t17-,22+,23+,24-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50106347
(CHEMBL3596367)Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC(F)(F)F)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,TLB:31:6:19:10.17.16,4:5:19:10.17.16| Show InChI InChI=1S/C24H21F3N2O3.ClH/c25-24(26,27)11-29-8-7-22-18-12-5-6-16(30)20(18)32-21(22)19-14(10-23(22,31)17(29)9-12)13-3-1-2-4-15(13)28-19;/h1-6,17,21,28,30-31H,7-11H2;1H/t17-,21+,22+,23-;/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 |
Kitasato University
Curated by ChEMBL
| Assay Description
Displacement of [3H]U-69,593 from human KOR expressed in CHO cells |
Bioorg Med Chem Lett 25: 2927-30 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.038
BindingDB Entry DOI: 10.7270/Q28C9Z0W |
More data for this
Ligand-Target Pair | |
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