Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'wendling' and Initial = 'jm'   

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
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324200 (4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...) Show SMILES COc1cc(ccc1C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1)C(O)=O |r,t:9| Show InChI InChI=1S/C23H22ClN3O3/c1-30-22-10-15(23(28)29)7-9-18(22)20-12-21(14-4-2-3-5-14)27(26-20)17-8-6-16(13-25)19(24)11-17/h6-11,14,21H,2-5,12H2,1H3,(H,28,29)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324215 ((+/-)-(3SR,3aRS)-2-(4-Cyano-3-methylphenyl)-3-cycl...) Show SMILES Cc1cc(ccc1C#N)N1N=C2[C@H](CCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:11| Show InChI InChI=1S/C25H25N3O2/c1-15-12-20(9-6-19(15)14-26)28-24(16-4-2-3-5-16)22-11-7-17-13-18(25(29)30)8-10-21(17)23(22)27-28/h6,8-10,12-13,16,22,24H,2-5,7,11H2,1H3,(H,29,30)/t22-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324201 (4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...) Show SMILES CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:13| Show InChI InChI=1S/C24H24ClN3O3/c1-2-31-23-11-16(8-10-19(23)24(29)30)21-13-22(15-5-3-4-6-15)28(27-21)18-9-7-17(14-26)20(25)12-18/h7-12,15,22H,2-6,13H2,1H3,(H,29,30)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324216 ((+/-)-(3SR,3aRS)-2-(4-Cyano-3-methoxyphenyl)-3-cyc...) Show SMILES COc1cc(ccc1C#N)N1N=C2[C@H](CCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:12| Show InChI InChI=1S/C25H25N3O3/c1-31-22-13-19(9-6-18(22)14-26)28-24(15-4-2-3-5-15)21-11-7-16-12-17(25(29)30)8-10-20(16)23(21)27-28/h6,8-10,12-13,15,21,24H,2-5,7,11H2,1H3,(H,29,30)/t21-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50228080 (2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...) Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6| Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324202 (4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...) Show SMILES OCCCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:15| Show InChI InChI=1S/C25H26ClN3O4/c26-21-13-19(8-6-18(21)15-27)29-23(16-4-1-2-5-16)14-22(28-29)17-7-9-20(25(31)32)24(12-17)33-11-3-10-30/h6-9,12-13,16,23,30H,1-5,10-11,14H2,(H,31,32)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324199 (4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...) Show SMILES COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12| Show InChI InChI=1S/C23H22ClN3O3/c1-30-22-10-15(7-9-18(22)23(28)29)20-12-21(14-4-2-3-5-14)27(26-20)17-8-6-16(13-25)19(24)11-17/h6-11,14,21H,2-5,12H2,1H3,(H,28,29)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324212 ((+/-)-(3RS,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CC=CC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,c:13,t:7| Show InChI InChI=1S/C24H20ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h1-2,5,7-9,11-12,14,20,23H,3-4,6,10H2,(H,29,30)/t20-,23-/m0/s1	PDB MMDB 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
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324196 (4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...) Show SMILES OC(=O)c1ccc(cc1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:10| Show InChI InChI=1S/C22H20ClN3O2/c23-19-11-18(10-9-17(19)13-24)26-21(15-3-1-2-4-15)12-20(25-26)14-5-7-16(8-6-14)22(27)28/h5-11,15,21H,1-4,12H2,(H,27,28)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50336012 (6-chloro-8-(4-chlorophenyl)-2-(trifluoromethyl)-2H...) Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccc(Cl)cc3)c2OC1C(F)(F)F |t:3| Show InChI InChI=1S/C17H9Cl2F3O3/c18-10-3-1-8(2-4-10)12-7-11(19)5-9-6-13(16(23)24)15(17(20,21)22)25-14(9)12/h1-7,15H,(H,23,24)	PDB MMDB 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	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem Lett 21: 993-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.023 BindingDB Entry DOI: 10.7270/Q2QR4XDS
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324211 ((+/-)-(3RS,3aSR)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C23H20ClN3O2/c24-20-11-17(7-4-16(20)12-25)27-22(13-2-1-3-13)19-9-5-14-10-15(23(28)29)6-8-18(14)21(19)26-27/h4,6-8,10-11,13,19,22H,1-3,5,9H2,(H,28,29)/t19-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324210 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C24H22ClN3O2/c25-21-12-18(8-5-17(21)13-26)28-23(14-3-1-2-4-14)20-10-6-15-11-16(24(29)30)7-9-19(15)22(20)27-28/h5,7-9,11-12,14,20,23H,1-4,6,10H2,(H,29,30)/t20-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324224 ((3S,3aR)-2-(3-Chloro-4-cyanophenyl)-3-cyclopentyl-...) Show SMILES C[C@]12CCc3cc(ccc3C1=NN([C@H]2C1CCCC1)c1ccc(C#N)c(Cl)c1)C(O)=O |r,c:12| Show InChI InChI=1S/C25H24ClN3O2/c1-25-11-10-16-12-17(24(30)31)7-9-20(16)22(25)28-29(23(25)15-4-2-3-5-15)19-8-6-18(14-27)21(26)13-19/h6-9,12-13,15,23H,2-5,10-11H2,1H3,(H,30,31)/t23-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324226 ((3S,3aR)-2-(4-Cyano-3-methylphenyl)-3-cyclopentyl-...) Show SMILES Cc1cc(ccc1C#N)N1N=C2[C@H](OCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:11| Show InChI InChI=1S/C24H23N3O3/c1-14-10-19(8-6-17(14)12-25)27-22(15-4-2-3-5-15)23-21(26-27)20-9-7-16(24(28)29)11-18(20)13-30-23/h6-11,15,22-23H,2-5,13H2,1H3,(H,28,29)/t22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324198 (2-Chloro-4-[(5R)-1-(3-chloro-4-cyanophenyl)-5-cycl...) Show SMILES OC(=O)c1ccc(cc1Cl)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:11| Show InChI InChI=1S/C22H19Cl2N3O2/c23-18-10-16(7-5-15(18)12-25)27-21(13-3-1-2-4-13)11-20(26-27)14-6-8-17(22(28)29)19(24)9-14/h5-10,13,21H,1-4,11H2,(H,28,29)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50324163 (4-[(5R)-5-(4-Fluorophenyl)-3-(2-oxo-2,3-dihydro-1,...) Show SMILES Fc1ccc(cc1)[C@H]1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1 |r,c:10| Show InChI InChI=1S/C23H15FN4O2/c24-17-6-3-15(4-7-17)21-12-20(16-5-10-19-22(11-16)30-23(29)26-19)27-28(21)18-8-1-14(13-25)2-9-18/h1-11,21H,12H2,(H,26,29)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG at 10 uM				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324227 (4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-(4-fluorophen...) Show SMILES OC(=O)c1ccc(cc1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:10| Show InChI InChI=1S/C23H15ClFN3O2/c24-20-11-19(10-7-17(20)13-26)28-22(15-5-8-18(25)9-6-15)12-21(27-28)14-1-3-16(4-2-14)23(29)30/h1-11,22H,12H2,(H,29,30)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324165 (4-[(5R)-3-(2,4-Dimethyl-1,3-thiazol-5-yl)-5-(4-flu...) Show SMILES Cc1nc(C)c(s1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:8| Show InChI InChI=1S/C21H17FN4S/c1-13-21(27-14(2)24-13)19-11-20(16-5-7-17(22)8-6-16)26(25-19)18-9-3-15(12-23)4-10-18/h3-10,20H,11H2,1-2H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324223 ((+/-)-(3RS,3aSR)-2-(4-Cyano-3-methylphenyl)-3-cycl...) Show SMILES Cc1cc(ccc1C#N)N1N=C2[C@@H](OCc3cc(ccc23)C(O)=O)[C@H]1C1CCCC1 |r,c:11| Show InChI InChI=1S/C24H23N3O3/c1-14-10-19(8-6-17(14)12-25)27-22(15-4-2-3-5-15)23-21(26-27)20-9-7-16(24(28)29)11-18(20)13-30-23/h6-11,15,22-23H,2-5,13H2,1H3,(H,28,29)/t22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem Lett 21: 993-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.023 BindingDB Entry DOI: 10.7270/Q2QR4XDS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324209 ((3R,3aR)-2-(3-Chloro-4-cyanophenyl)-3-(4-fluorophe...) Show SMILES OC(=O)c1ccc2C3=NN([C@H]([C@H]3CCc2c1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C25H17ClFN3O2/c26-22-12-19(8-3-17(22)13-28)30-24(14-1-6-18(27)7-2-14)21-10-4-15-11-16(25(31)32)5-9-20(15)23(21)29-30/h1-3,5-9,11-12,21,24H,4,10H2,(H,31,32)/t21-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324163 (4-[(5R)-5-(4-Fluorophenyl)-3-(2-oxo-2,3-dihydro-1,...) Show SMILES Fc1ccc(cc1)[C@H]1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1 |r,c:10| Show InChI InChI=1S/C23H15FN4O2/c24-17-6-3-15(4-7-17)21-12-20(16-5-10-19-22(11-16)30-23(29)26-19)27-28(21)18-8-1-14(13-25)2-9-18/h1-11,21H,12H2,(H,26,29)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324197 (4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...) Show SMILES OC(=O)c1ccc(cc1F)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:11| Show InChI InChI=1S/C22H19ClFN3O2/c23-18-10-16(7-5-15(18)12-25)27-21(13-3-1-2-4-13)11-20(26-27)14-6-8-17(22(28)29)19(24)9-14/h5-10,13,21H,1-4,11H2,(H,28,29)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324195 ((+/-)-4-[1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-...) Show SMILES OC(=O)c1ccc(cc1)C1=NN(C(C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |t:10| Show InChI InChI=1S/C22H20ClN3O2/c23-19-11-18(10-9-17(19)13-24)26-21(15-3-1-2-4-15)12-20(25-26)14-5-7-16(8-6-14)22(27)28/h5-11,15,21H,1-4,12H2,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324178 ((+/-)-4-[1-(3-Chloro-4-cyanophenyl)-5-(4-fluorophe...) Show SMILES OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |t:10| Show InChI InChI=1S/C23H15ClFN3O2/c24-20-11-19(10-7-17(20)13-26)28-22(15-5-8-18(25)9-6-15)12-21(27-28)14-1-3-16(4-2-14)23(29)30/h1-11,22H,12H2,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324180 ((+/-)-4-[1-(4-Cyano-3-methylphenyl)-5-(4-fluorophe...) Show SMILES Cc1cc(ccc1C#N)N1N=C(CC1c1ccc(F)cc1)c1ccc(cc1)C(O)=O |c:11| Show InChI InChI=1S/C24H18FN3O2/c1-15-12-21(11-8-19(15)14-26)28-23(17-6-9-20(25)10-7-17)13-22(27-28)16-2-4-18(5-3-16)24(29)30/h2-12,23H,13H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324162 ((+/-)-4-[5-(4-Fluorophenyl)-3-(2-oxo-2,3-dihydro-1...) Show SMILES Fc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C#N)c1ccc2[nH]c(=O)oc2c1 |c:10| Show InChI InChI=1S/C23H15FN4O2/c24-17-6-3-15(4-7-17)21-12-20(16-5-10-19-22(11-16)30-23(29)26-19)27-28(21)18-8-1-14(13-25)2-9-18/h1-11,21H,12H2,(H,26,29)	PDB MMDB 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
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324221 ((+/-)-(3RS,3aSR)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3OCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C23H20ClN3O3/c24-19-10-17(7-5-15(19)11-25)27-21(13-3-1-2-4-13)22-20(26-27)18-8-6-14(23(28)29)9-16(18)12-30-22/h5-10,13,21-22H,1-4,12H2,(H,28,29)/t21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50336018 (6-chloro-8-(3-fluoro-4-methylphenyl)-2-(trifluorom...) Show SMILES Cc1ccc(cc1F)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:15| Show InChI InChI=1S/C18H11ClF4O3/c1-8-2-3-9(6-14(8)20)12-7-11(19)4-10-5-13(17(24)25)16(18(21,22)23)26-15(10)12/h2-7,16H,1H3,(H,24,25)	PDB MMDB 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	66	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem Lett 21: 993-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.023 BindingDB Entry DOI: 10.7270/Q2QR4XDS
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324205 (4-[(4S,5S)-1-(3-Chloro-4-cyanophenyl)-5-cyclopenty...) Show SMILES COc1cc(ccc1C(O)=O)C1=NN([C@@H](C2CCCC2)[C@H]1C)c1ccc(C#N)c(Cl)c1 |r,t:12| Show InChI InChI=1S/C24H24ClN3O3/c1-14-22(16-8-10-19(24(29)30)21(11-16)31-2)27-28(23(14)15-5-3-4-6-15)18-9-7-17(13-26)20(25)12-18/h7-12,14-15,23H,3-6H2,1-2H3,(H,29,30)/t14-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50336014 (6-chloro-8-(4-ethylphenyl)-2-(trifluoromethyl)-2H-...) Show SMILES CCc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:15| Show InChI InChI=1S/C19H14ClF3O3/c1-2-10-3-5-11(6-4-10)14-9-13(20)7-12-8-15(18(24)25)17(19(21,22)23)26-16(12)14/h3-9,17H,2H2,1H3,(H,24,25)	PDB MMDB 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	78	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem Lett 21: 993-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.023 BindingDB Entry DOI: 10.7270/Q2QR4XDS
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324203 (4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4...) Show SMILES OC(=O)c1ccc(cc1OC(F)(F)F)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:15| Show InChI InChI=1S/C23H19ClF3N3O3/c24-18-10-16(7-5-15(18)12-28)30-20(13-3-1-2-4-13)11-19(29-30)14-6-8-17(22(31)32)21(9-14)33-23(25,26)27/h5-10,13,20H,1-4,11H2,(H,31,32)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324166 ((+/-)-4-[1-(4-Cyanophenyl)-5-(4-fluorophenyl)-4,5-...) Show SMILES CN(C)CCN(C)C(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N |t:16| Show InChI InChI=1S/C28H28FN5O/c1-32(2)16-17-33(3)28(35)23-8-6-21(7-9-23)26-18-27(22-10-12-24(29)13-11-22)34(31-26)25-14-4-20(19-30)5-15-25/h4-15,27H,16-18H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324160 ((+/-)-(3SR,3aRS)-2-(4-Cyanophenyl)-3-cyclopentyl-3...) Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(cc1)C#N |r,t:7| Show InChI InChI=1S/C24H23N3O2/c25-14-15-5-9-19(10-6-15)27-23(16-3-1-2-4-16)21-12-7-17-13-18(24(28)29)8-11-20(17)22(21)26-27/h5-6,8-11,13,16,21,23H,1-4,7,12H2,(H,28,29)/t21-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324170 (4-[(5R)-1-(4-Cyanophenyl)-5-(4-fluorophenyl)-4,5-d...) Show SMILES OC(=O)c1ccc(cc1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:10| Show InChI InChI=1S/C23H16FN3O2/c24-19-9-7-17(8-10-19)22-13-21(16-3-5-18(6-4-16)23(28)29)26-27(22)20-11-1-15(14-25)2-12-20/h1-12,22H,13H2,(H,28,29)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50336013 (6-chloro-8-p-tolyl-2-(trifluoromethyl)-2H-chromene...) Show SMILES Cc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:14| Show InChI InChI=1S/C18H12ClF3O3/c1-9-2-4-10(5-3-9)13-8-12(19)6-11-7-14(17(23)24)16(18(20,21)22)25-15(11)13/h2-8,16H,1H3,(H,23,24)	PDB MMDB 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	103	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem Lett 21: 993-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.023 BindingDB Entry DOI: 10.7270/Q2QR4XDS
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50318300 (CHEMBL1095097 | EPLERENONE | SC-66110) Show SMILES COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |r,t:6| Show InChI InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324214 ((+/-)-(3SR,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-(tet...) Show SMILES OC(=O)c1ccc2C3=NN([C@H]([C@H]3CCc2c1)C1OC=CC=C1)c1ccc(C#N)c(Cl)c1 |r,c:21,23,t:7| Show InChI InChI=1S/C24H18ClN3O3/c25-20-12-17(7-4-16(20)13-26)28-23(21-3-1-2-10-31-21)19-9-5-14-11-15(24(29)30)6-8-18(14)22(19)27-28/h1-4,6-8,10-12,19,21,23H,5,9H2,(H,29,30)/t19-,21?,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324181 ((+/-)-4-{1-[4-Cyano-3-(trifluoromethyl)phenyl]-5-(...) Show SMILES OC(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(C#N)c(c1)C(F)(F)F |t:10| Show InChI InChI=1S/C24H15F4N3O2/c25-18-8-5-15(6-9-18)22-12-21(14-1-3-16(4-2-14)23(32)33)30-31(22)19-10-7-17(13-29)20(11-19)24(26,27)28/h1-11,22H,12H2,(H,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>127	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324204 (CHEMBL1215262 | {4-[(5R)-1-(3-Chloro-4-cyanophenyl...) Show SMILES OC(=O)Cc1ccc(cc1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:11| Show InChI InChI=1S/C23H22ClN3O2/c24-20-12-19(10-9-18(20)14-25)27-22(17-3-1-2-4-17)13-21(26-27)16-7-5-15(6-8-16)11-23(28)29/h5-10,12,17,22H,1-4,11,13H2,(H,28,29)/t22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324222 ((+/-)-(3RS,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-cycl...) Show SMILES OC(=O)c1ccc2C3=NN([C@H](C4CCCC4)[C@@H]3OCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C23H20ClN3O3/c24-19-10-17(7-5-15(19)11-25)27-21(13-3-1-2-4-13)22-20(26-27)18-8-6-14(23(28)29)9-16(18)12-30-22/h5-10,13,21-22H,1-4,12H2,(H,28,29)/t21-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324217 ((+/-)-(3RS,3aSR)-2-(4-Cyano-3-(methoxymethyl)pheny...) Show SMILES COCc1cc(ccc1C#N)N1N=C2[C@H](CCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:13| Show InChI InChI=1S/C26H27N3O3/c1-32-15-20-13-21(9-6-19(20)14-27)29-25(16-4-2-3-5-16)23-11-7-17-12-18(26(30)31)8-10-22(17)24(23)28-29/h6,8-10,12-13,16,23,25H,2-5,7,11,15H2,1H3,(H,30,31)/t23-,25-/m0/s1	PDB MMDB 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
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324192 ((+/-)-4-[1-(4-Cyanophenyl)-5-cyclopentyl-4,5-dihyd...) Show SMILES OC(=O)c1ccc(cc1)C1=NN(C(C1)C1CCCC1)c1ccc(cc1)C#N |t:10| Show InChI InChI=1S/C22H21N3O2/c23-14-15-5-11-19(12-6-15)25-21(17-3-1-2-4-17)13-20(24-25)16-7-9-18(10-8-16)22(26)27/h5-12,17,21H,1-4,13H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50324166 ((+/-)-4-[1-(4-Cyanophenyl)-5-(4-fluorophenyl)-4,5-...) Show SMILES CN(C)CCN(C)C(=O)c1ccc(cc1)C1=NN(C(C1)c1ccc(F)cc1)c1ccc(cc1)C#N |t:16| Show InChI InChI=1S/C28H28FN5O/c1-32(2)16-17-33(3)28(35)23-8-6-21(7-9-23)26-18-27(22-10-12-24(29)13-11-22)34(31-26)25-14-4-20(19-30)5-15-25/h4-15,27H,16-18H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG at 10 uM				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324173 ((+/-)-4-{1-[4-(Ethoxycarbonyl)phenyl]-5-(4-fluorop...) Show SMILES CCOC(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(cc1)C(O)=O |c:13| Show InChI InChI=1S/C25H21FN2O4/c1-2-32-25(31)19-9-13-21(14-10-19)28-23(17-7-11-20(26)12-8-17)15-22(27-28)16-3-5-18(6-4-16)24(29)30/h3-14,23H,2,15H2,1H3,(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50331883 (6-chloro-8-phenyl-2-(trifluoromethyl)-2H-chromene-...) Show SMILES OC(=O)C1=Cc2cc(Cl)cc(-c3ccccc3)c2OC1C(F)(F)F |t:3| Show InChI InChI=1S/C17H10ClF3O3/c18-11-6-10-7-13(16(22)23)15(17(19,20)21)24-14(10)12(8-11)9-4-2-1-3-5-9/h1-8,15H,(H,22,23)	PDB MMDB 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	188	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem Lett 21: 993-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.023 BindingDB Entry DOI: 10.7270/Q2QR4XDS
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324208 ((+/-)-(3RS,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-(4-f...) Show SMILES OC(=O)c1ccc2C3=NN([C@@H]([C@@H]3CCc2c1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C25H17ClFN3O2/c26-22-12-19(8-3-17(22)13-28)30-24(14-1-6-18(27)7-2-14)21-10-4-15-11-16(25(31)32)5-9-20(15)23(21)29-30/h1-3,5-9,11-12,21,24H,4,10H2,(H,31,32)/t21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324208 ((+/-)-(3RS,3aRS)-2-(3-Chloro-4-cyanophenyl)-3-(4-f...) Show SMILES OC(=O)c1ccc2C3=NN([C@@H]([C@@H]3CCc2c1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:7| Show InChI InChI=1S/C25H17ClFN3O2/c26-22-12-19(8-3-17(22)13-28)30-24(14-1-6-18(27)7-2-14)21-10-4-15-11-16(25(31)32)5-9-20(15)23(21)29-30/h1-3,5-9,11-12,21,24H,4,10H2,(H,31,32)/t21-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50336016 (6-chloro-8-(4-(ethylthio)phenyl)-2-(trifluoromethy...) Show SMILES CCSc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:16| Show InChI InChI=1S/C19H14ClF3O3S/c1-2-27-13-5-3-10(4-6-13)14-9-12(20)7-11-8-15(18(24)25)17(19(21,22)23)26-16(11)14/h3-9,17H,2H2,1H3,(H,24,25)	PDB MMDB 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	242	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human COX2				Bioorg Med Chem Lett 21: 993-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.023 BindingDB Entry DOI: 10.7270/Q2QR4XDS
					More data for this Ligand-Target Pair

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