Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'russell' and Initial = 's'   

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))	BDBM50135808 ((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7| Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human kappa opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494297 (CHEMBL3086308) Show SMILES Br.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H] |r,THB:15:14:28:10.4.3| Show InChI InChI=1S/C22H27N3OS.BrH/c1-23-21-24-18-11-22-6-7-25(12-13-2-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22;/h4-5,9,13,17,19,26H,2-3,6-8,10-12H2,1H3,(H,23,24);1H/t17-,19+,22+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human kappa opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494300 (CHEMBL3086305) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2| Show InChI InChI=1S/C23H27N3O2S/c1-13(27)24-22-25-19-11-23-6-7-26(12-14-2-3-14)20(18(23)10-21(19)29-22)8-15-4-5-16(28)9-17(15)23/h4-5,9,14,18,20,28H,2-3,6-8,10-12H2,1H3,(H,24,25,27)/t18-,20+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494297 (CHEMBL3086308) Show SMILES Br.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H] |r,THB:15:14:28:10.4.3| Show InChI InChI=1S/C22H27N3OS.BrH/c1-23-21-24-18-11-22-6-7-25(12-13-2-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22;/h4-5,9,13,17,19,26H,2-3,6-8,10-12H2,1H3,(H,23,24);1H/t17-,19+,22+;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494300 (CHEMBL3086305) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2| Show InChI InChI=1S/C23H27N3O2S/c1-13(27)24-22-25-19-11-23-6-7-26(12-14-2-3-14)20(18(23)10-21(19)29-22)8-15-4-5-16(28)9-17(15)23/h4-5,9,14,18,20,28H,2-3,6-8,10-12H2,1H3,(H,24,25,27)/t18-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human kappa opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135808 ((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7| Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/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	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50494297 (CHEMBL3086308) Show SMILES Br.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H] |r,THB:15:14:28:10.4.3| Show InChI InChI=1S/C22H27N3OS.BrH/c1-23-21-24-18-11-22-6-7-25(12-13-2-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22;/h4-5,9,13,17,19,26H,2-3,6-8,10-12H2,1H3,(H,23,24);1H/t17-,19+,22+;/m0./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human delta opioid receptor transfected in CHO cells after 3 hrs				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50494300 (CHEMBL3086305) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2| Show InChI InChI=1S/C23H27N3O2S/c1-13(27)24-22-25-19-11-23-6-7-26(12-14-2-3-14)20(18(23)10-21(19)29-22)8-15-4-5-16(28)9-17(15)23/h4-5,9,14,18,20,28H,2-3,6-8,10-12H2,1H3,(H,24,25,27)/t18-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human delta opioid receptor transfected in CHO cells after 3 hrs				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50494298 (CHEMBL3086307) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H] |r,THB:15:14:28:10.3.2| Show InChI InChI=1S/C23H29N3OS/c1-24-22-25-19-12-23-7-8-26(13-14-3-4-14)20(18(23)11-21(19)28-22)9-15-5-6-16(27-2)10-17(15)23/h5-6,10,14,18,20H,3-4,7-9,11-13H2,1-2H3,(H,24,25)/t18-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human delta opioid receptor transfected in CHO cells after 3 hrs				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494301 (CHEMBL3086303) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(N)sc1C[C@@]23[H] |r,THB:15:14:27:10.3.2| Show InChI InChI=1S/C22H27N3OS/c1-26-15-5-4-14-8-19-17-10-20-18(24-21(23)27-20)11-22(17,16(14)9-15)6-7-25(19)12-13-2-3-13/h4-5,9,13,17,19H,2-3,6-8,10-12H2,1H3,(H2,23,24)/t17-,19+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human kappa opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494298 (CHEMBL3086307) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H] |r,THB:15:14:28:10.3.2| Show InChI InChI=1S/C23H29N3OS/c1-24-22-25-19-12-23-7-8-26(13-14-3-4-14)20(18(23)11-21(19)28-22)9-15-5-6-16(27-2)10-17(15)23/h5-6,10,14,18,20H,3-4,7-9,11-13H2,1-2H3,(H,24,25)/t18-,20+,23+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human kappa opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50494299 (CHEMBL3086306) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:15:14:30:10.3.2| Show InChI InChI=1S/C24H29N3O2S/c1-14(28)25-23-26-20-12-24-7-8-27(13-15-3-4-15)21(19(24)11-22(20)30-23)9-16-5-6-17(29-2)10-18(16)24/h5-6,10,15,19,21H,3-4,7-9,11-13H2,1-2H3,(H,25,26,28)/t19-,21+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human delta opioid receptor transfected in CHO cells after 3 hrs				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50135808 ((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...) Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7| Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human delta opioid receptor transfected in CHO cells after 3 hrs				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494299 (CHEMBL3086306) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:15:14:30:10.3.2| Show InChI InChI=1S/C24H29N3O2S/c1-14(28)25-23-26-20-12-24-7-8-27(13-15-3-4-15)21(19(24)11-22(20)30-23)9-16-5-6-17(29-2)10-18(16)24/h5-6,10,15,19,21H,3-4,7-9,11-13H2,1-2H3,(H,25,26,28)/t19-,21+,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494301 (CHEMBL3086303) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(N)sc1C[C@@]23[H] |r,THB:15:14:27:10.3.2| Show InChI InChI=1S/C22H27N3OS/c1-26-15-5-4-14-8-19-17-10-20-18(24-21(23)27-20)11-22(17,16(14)9-15)6-7-25(19)12-13-2-3-13/h4-5,9,13,17,19H,2-3,6-8,10-12H2,1H3,(H2,23,24)/t17-,19+,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50494299 (CHEMBL3086306) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:15:14:30:10.3.2| Show InChI InChI=1S/C24H29N3O2S/c1-14(28)25-23-26-20-12-24-7-8-27(13-15-3-4-15)21(19(24)11-22(20)30-23)9-16-5-6-17(29-2)10-18(16)24/h5-6,10,15,19,21H,3-4,7-9,11-13H2,1-2H3,(H,25,26,28)/t19-,21+,24+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human kappa opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494298 (CHEMBL3086307) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H] |r,THB:15:14:28:10.3.2| Show InChI InChI=1S/C23H29N3OS/c1-24-22-25-19-12-23-7-8-26(13-14-3-4-14)20(18(23)11-21(19)28-22)9-15-5-6-16(27-2)10-17(15)23/h5-6,10,14,18,20H,3-4,7-9,11-13H2,1-2H3,(H,24,25)/t18-,20+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50494301 (CHEMBL3086303) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(N)sc1C[C@@]23[H] |r,THB:15:14:27:10.3.2| Show InChI InChI=1S/C22H27N3OS/c1-26-15-5-4-14-8-19-17-10-20-18(24-21(23)27-20)11-22(17,16(14)9-15)6-7-25(19)12-13-2-3-13/h4-5,9,13,17,19H,2-3,6-8,10-12H2,1H3,(H2,23,24)/t17-,19+,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]-naltrindole from human delta opioid receptor transfected in CHO cells after 3 hrs				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500190 (CHEMBL3746080) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2ccc(Cl)nc2n1C Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)19-9-11-6-13(10-18-8-11)14-7-12-4-5-15(17)20-16(12)21(14)2/h4-8,10,19H,3,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500191 (CHEMBL3747584) Show SMILES Cc1c(-c2cccnc2)n(C)c2ccccc12 Show InChI InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494300 (CHEMBL3086305) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2| Show InChI InChI=1S/C23H27N3O2S/c1-13(27)24-22-25-19-11-23-6-7-26(12-14-2-3-14)20(18(23)10-21(19)29-22)8-15-4-5-16(28)9-17(15)23/h4-5,9,14,18,20,28H,2-3,6-8,10-12H2,1H3,(H,24,25,27)/t18-,20+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50212293 ((1S,9R,10R)-5-amino-20-(cyclopropylmethyl)-6-thia-...) Show SMILES Nc1nc2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@@H]4Cc2s1 |THB:9:8:15.21.14:22| Show InChI InChI=1S/C21H25N3OS/c22-20-23-17-10-21-5-6-24(11-12-1-2-12)18(16(21)9-19(17)26-20)7-13-3-4-14(25)8-15(13)21/h3-4,8,12,16,18,25H,1-2,5-7,9-11H2,(H2,22,23)/t16-,18+,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	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding after 60 min...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500189 (CHEMBL3746175) Show SMILES CN(C)S(=O)(=O)Oc1cncc(c1)-c1c(C#N)c2ccccc2n1C Show InChI InChI=1S/C17H16N4O3S/c1-20(2)25(22,23)24-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)3/h4-8,10-11H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500187 (CHEMBL3747269) Show SMILES Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1 Show InChI InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition human recombinant CYP11B1 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494297 (CHEMBL3086308) Show SMILES Br.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H] |r,THB:15:14:28:10.4.3| Show InChI InChI=1S/C22H27N3OS.BrH/c1-23-21-24-18-11-22-6-7-25(12-13-2-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22;/h4-5,9,13,17,19,26H,2-3,6-8,10-12H2,1H3,(H,23,24);1H/t17-,19+,22+;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494297 (CHEMBL3086308) Show SMILES Br.[H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC)sc1C[C@@]23[H] |r,THB:15:14:28:10.4.3| Show InChI InChI=1S/C22H27N3OS.BrH/c1-23-21-24-18-11-22-6-7-25(12-13-2-3-13)19(17(22)10-20(18)27-21)8-14-4-5-15(26)9-16(14)22;/h4-5,9,13,17,19,26H,2-3,6-8,10-12H2,1H3,(H,23,24);1H/t17-,19+,22+;/m0./s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding after 60 min...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500185 (CHEMBL3746125) Show SMILES Cc1c([nH]c2ccccc12)-c1cccnc1 Show InChI InChI=1S/C14H12N2/c1-10-12-6-2-3-7-13(12)16-14(10)11-5-4-8-15-9-11/h2-9,16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500188 (CHEMBL3747562) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C Show InChI InChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500187 (CHEMBL3747269) Show SMILES Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1 Show InChI InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500188 (CHEMBL3747562) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C Show InChI InChI=1S/C18H17ClN4O2S/c1-3-26(24,25)22-10-12-6-13(11-21-9-12)18-16(8-20)15-5-4-14(19)7-17(15)23(18)2/h4-7,9,11,22H,3,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500190 (CHEMBL3746080) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2ccc(Cl)nc2n1C Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)19-9-11-6-13(10-18-8-11)14-7-12-4-5-15(17)20-16(12)21(14)2/h4-8,10,19H,3,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500191 (CHEMBL3747584) Show SMILES Cc1c(-c2cccnc2)n(C)c2ccccc12 Show InChI InChI=1S/C15H14N2/c1-11-13-7-3-4-8-14(13)17(2)15(11)12-6-5-9-16-10-12/h3-10H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500186 (CHEMBL3747069) Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C Show InChI InChI=1S/C17H15ClN4O2S/c1-3-25(23,24)21-13-6-11(9-20-10-13)17-15(8-19)14-5-4-12(18)7-16(14)22(17)2/h4-7,9-10,21H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500184 (CHEMBL3746868) Show SMILES Cn1c(c(C#N)c2ccccc12)-c1cccnc1 Show InChI InChI=1S/C15H11N3/c1-18-14-7-3-2-6-12(14)13(9-16)15(18)11-5-4-8-17-10-11/h2-8,10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494300 (CHEMBL3086305) Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:14:13:29:9.3.2| Show InChI InChI=1S/C23H27N3O2S/c1-13(27)24-22-25-19-11-23-6-7-26(12-14-2-3-14)20(18(23)10-21(19)29-22)8-15-4-5-16(28)9-17(15)23/h4-5,9,14,18,20,28H,2-3,6-8,10-12H2,1H3,(H,24,25,27)/t18-,20+,23+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of U50488-induced [35S]GTPgammaS binding after 60 min...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500186 (CHEMBL3747069) Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1c(C#N)c2ccc(Cl)cc2n1C Show InChI InChI=1S/C17H15ClN4O2S/c1-3-25(23,24)21-13-6-11(9-20-10-13)17-15(8-19)14-5-4-12(18)7-16(14)22(17)2/h4-7,9-10,21H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500185 (CHEMBL3746125) Show SMILES Cc1c([nH]c2ccccc12)-c1cccnc1 Show InChI InChI=1S/C14H12N2/c1-10-12-6-2-3-7-13(12)16-14(10)11-5-4-8-15-9-11/h2-9,16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500183 (CHEMBL3747503) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2cnc(Cl)cc2n1C Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)20-8-11-4-12(9-18-7-11)14-5-13-10-19-16(17)6-15(13)21(14)2/h4-7,9-10,20H,3,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500189 (CHEMBL3746175) Show SMILES CN(C)S(=O)(=O)Oc1cncc(c1)-c1c(C#N)c2ccccc2n1C Show InChI InChI=1S/C17H16N4O3S/c1-20(2)25(22,23)24-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)3/h4-8,10-11H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500184 (CHEMBL3746868) Show SMILES Cn1c(c(C#N)c2ccccc12)-c1cccnc1 Show InChI InChI=1S/C15H11N3/c1-18-14-7-3-2-6-12(14)13(9-16)15(18)11-5-4-8-17-10-11/h2-8,10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50005340 (2-Butyl-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C25H24N6/c1-2-3-12-24-26-22-10-6-7-11-23(22)31(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-27-29-30-28-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...				J Med Chem 35: 877-85 (1992) BindingDB Entry DOI: 10.7270/Q23R0W37
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500183 (CHEMBL3747503) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2cnc(Cl)cc2n1C Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)20-8-11-4-12(9-18-7-11)14-5-13-10-19-16(17)6-15(13)21(14)2/h4-7,9-10,20H,3,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50500187 (CHEMBL3747269) Show SMILES Cn1c(c(C#N)c2ccc(Cl)cc12)-c1cccnc1 Show InChI InChI=1S/C15H10ClN3/c1-19-14-7-11(16)4-5-12(14)13(8-17)15(19)10-3-2-6-18-9-10/h2-7,9H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MAO-A (unknown origin)				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50500192 (CHEMBL3746924) Show SMILES CCS(=O)(=O)Nc1cncc(c1)-c1c(C#N)c2ccccc2n1C Show InChI InChI=1S/C17H16N4O2S/c1-3-24(22,23)20-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)2/h4-8,10-11,20H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50003399 (4'-(2-Butyl-4-chloro-5-hydroxymethyl-imidazol-1-yl...) Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1C(O)=O Show InChI InChI=1S/C22H23ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-12,26H,2-3,8,13-14H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Concentration required for 50% displacement of the specifically bound [3-[125I]-iodotyrosyl]-angiotensin II from angiotensin II receptor in the membr...				J Med Chem 35: 877-85 (1992) BindingDB Entry DOI: 10.7270/Q23R0W37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494299 (CHEMBL3086306) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(NC(C)=O)sc1C[C@@]23[H] |r,THB:15:14:30:10.3.2| Show InChI InChI=1S/C24H29N3O2S/c1-14(28)25-23-26-20-12-24-7-8-27(13-15-3-4-15)21(19(24)11-22(20)30-23)9-16-5-6-17(29-2)10-18(16)24/h5-6,10,15,19,21H,3-4,7-9,11-13H2,1-2H3,(H,25,26,28)/t19-,21+,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair
Type-1/Type-2 angiotensin II receptor (Homo sapiens (Human))	BDBM50230428 (CHEMBL352376) Show SMILES CCCCCCc1nc2ccccc2n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C21H24N2O2/c1-2-3-4-5-10-20-22-18-8-6-7-9-19(18)23(20)15-16-11-13-17(14-12-16)21(24)25/h6-9,11-14H,2-5,10,15H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
ICI Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3-[125I]-iodotyrosyl]-angiotensin II binding to Angiotensin II receptors in the membrane preparations of guinea pig adrenal glands.				J Med Chem 35: 877-85 (1992) BindingDB Entry DOI: 10.7270/Q23R0W37
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50494301 (CHEMBL3086303) Show SMILES [H][C@]12Cc3ccc(OC)cc3[C@@]3(CCN1CC1CC1)Cc1nc(N)sc1C[C@@]23[H] |r,THB:15:14:27:10.3.2| Show InChI InChI=1S/C22H27N3OS/c1-26-15-5-4-14-8-19-17-10-20-18(24-21(23)27-20)11-22(17,16(14)9-15)6-7-25(19)12-13-2-3-13/h4-5,9,13,17,19H,2-3,6-8,10-12H2,1H3,(H2,23,24)/t17-,19+,22+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Antagonist activity at human mu opioid receptor transfected in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding after 60 mins...				J Med Chem 56: 8872-8 (2013) Article DOI: 10.1021/jm401290y BindingDB Entry DOI: 10.7270/Q2KH0R96
					More data for this Ligand-Target Pair

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