Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'waszczuk' and Initial = 'j'   

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
Progesterone receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human PR expressed in CHO-K1 cells assessed as reduction in progesterone-induced response incubated for 20 hrs by luciferase r...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25743 (1-cycloheptyl-3-(1-acetylpiperidin-4-yl)urea | US8...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1 Show InChI InChI=1S/C15H27N3O2/c1-12(19)18-10-8-14(9-11-18)17-15(20)16-13-6-4-2-3-5-7-13/h13-14H,2-11H2,1H3,(H2,16,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335965 (1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C16H22F3N3O4S/c1-11(2)27(24,25)22-9-7-13(8-10-22)21-15(23)20-12-3-5-14(6-4-12)26-16(17,18)19/h3-6,11,13H,7-10H2,1-2H3,(H2,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335964 (1-(1-nicotinoylpiperidin-4-yl)-3-(4-(trifluorometh...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cccnc2)cc1 Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-5-3-14(4-6-16)24-18(28)25-15-7-10-26(11-8-15)17(27)13-2-1-9-23-12-13/h1-6,9,12,15H,7-8,10-11H2,(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335966 (1-Adamantan-1-yl-3-(1-methanesulfonyl-piperidin-4-...) Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:16.21.15:22,THB:19:18:15:21.20.22,19:20:17.18.23:15,17:16:18.19.23:22| Show InChI InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368944 (CHEMBL4172624) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)C |r,c:14,20| Show InChI InChI=1S/C30H36O2/c1-5-15-30(32)16-14-27-25-12-10-22-17-23(31)11-13-24(22)28(25)26(18-29(27,30)4)21-8-6-20(7-9-21)19(2)3/h6-9,17,19,25-27,32H,10-14,16,18H2,1-4H3/t25-,26+,27-,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335967 (1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H22F3N3O3S/c1-11(2)26(24,25)22-9-7-14(8-10-22)21-15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,11,14H,7-10H2,1-2H3,(H2,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Mus musculus (Mouse))	BDBM50191854 (CHEMBL436774 | N-(1-acetyl-piperidin-4-yl)-N'-(ada...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18| Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of mouse soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335968 (1-(1-(methylsulfonyl)piperidin-4-yl)-3-(4-(trifluo...) Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H18F3N3O3S/c1-24(22,23)20-8-6-12(7-9-20)19-13(21)18-11-4-2-10(3-5-11)14(15,16)17/h2-5,12H,6-9H2,1H3,(H2,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335966 (1-Adamantan-1-yl-3-(1-methanesulfonyl-piperidin-4-...) Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:16.21.15:22,THB:19:18:15:21.20.22,19:20:17.18.23:15,17:16:18.19.23:22| Show InChI InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368933 (CHEMBL4161754) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37| Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368971 (CHEMBL4159987) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:35| Show InChI InChI=1S/C32H43NO2/c1-30(2,3)17-18-32(35)16-15-28-26-13-9-22-19-24(34)12-14-25(22)29(26)27(20-31(28,32)4)21-7-10-23(11-8-21)33(5)6/h7-8,10-11,19,25-29,35H,9,12-16,20H2,1-6H3/t25-,26-,27+,28-,29+,31-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335969 (1-(1-acetylpiperidin-4-yl)-3-(4,4-dimethylcyclohex...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCC(C)(C)CC1 Show InChI InChI=1S/C16H29N3O2/c1-12(20)19-10-6-14(7-11-19)18-15(21)17-13-4-8-16(2,3)9-5-13/h13-14H,4-11H2,1-3H3,(H2,17,18,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335970 (1-cyclohexyl-3-(1-picolinoylpiperidin-4-yl)urea | ...) Show SMILES O=C(NC1CCCCC1)NC1CCN(CC1)C(=O)c1ccccn1 Show InChI InChI=1S/C18H26N4O2/c23-17(16-8-4-5-11-19-16)22-12-9-15(10-13-22)21-18(24)20-14-6-2-1-3-7-14/h4-5,8,11,14-15H,1-3,6-7,9-10,12-13H2,(H2,20,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335964 (1-(1-nicotinoylpiperidin-4-yl)-3-(4-(trifluorometh...) Show SMILES FC(F)(F)Oc1ccc(NC(=O)NC2CCN(CC2)C(=O)c2cccnc2)cc1 Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)29-16-5-3-14(4-6-16)24-18(28)25-15-7-10-26(11-8-15)17(27)13-2-1-9-23-12-13/h1-6,9,12,15H,7-8,10-11H2,(H2,24,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50191854 (CHEMBL436774 | N-(1-acetyl-piperidin-4-yl)-N'-(ada...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:12:13:16.15.20:18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16:20.19.18| Show InChI InChI=1S/C18H29N3O2/c1-12(22)21-4-2-16(3-5-21)19-17(23)20-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,2-11H2,1H3,(H2,19,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368960 (CHEMBL4159692) Show SMILES [H][C@@]12CC[C@@](O)(C#CCC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:15,21| Show InChI InChI=1S/C30H37NO2/c1-5-6-16-30(33)17-15-27-25-13-9-21-18-23(32)12-14-24(21)28(25)26(19-29(27,30)2)20-7-10-22(11-8-20)31(3)4/h7-8,10-11,18,25-27,33H,5,9,12-15,17,19H2,1-4H3/t25-,26+,27-,29-,30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368924 (CHEMBL4167905 | US11124537, TABLE 3.47.1) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C1(C)COC1 |r,c:17,23| Show InChI InChI=1S/C34H42O3/c1-31(2,3)16-17-34(36)15-14-29-27-12-8-23-18-25(35)11-13-26(23)30(27)28(19-33(29,34)5)22-6-9-24(10-7-22)32(4)20-37-21-32/h6-7,9-10,18,27-29,36H,8,11-15,19-21H2,1-5H3/t27-,28+,29-,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335971 (1-(1-acetylpiperidin-4-yl)-3-(3-(trifluoromethyl)p...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-7-5-12(6-8-21)19-14(23)20-13-4-2-3-11(9-13)15(16,17)18/h2-4,9,12H,5-8H2,1H3,(H2,19,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335972 (1-(1-acetylpiperidin-4-yl)-3-(4-(trifluoromethyl)p...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H18F3N3O2/c1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18/h2-5,13H,6-9H2,1H3,(H2,19,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Sus scrofa)	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in mini pig PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368949 (CHEMBL4164157) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(F)(F)F)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:17,23| Show InChI InChI=1S/C29H32F3NO2/c1-27-17-24(18-4-7-20(8-5-18)33(2)3)26-22-11-9-21(34)16-19(22)6-10-23(26)25(27)12-13-28(27,35)14-15-29(30,31)32/h4-5,7-8,16,23-25,35H,6,9-13,17H2,1-3H3/t23-,24+,25-,27-,28+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368966 (CHEMBL4164900 | US11124537, TABLE 3.20.2) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1c(F)cc(cc1F)N(C)C |r,c:17,23| Show InChI InChI=1S/C32H39F2NO2/c1-30(2,3)13-14-32(37)12-11-25-23-9-7-19-15-21(36)8-10-22(19)28(23)24(18-31(25,32)4)29-26(33)16-20(35(5)6)17-27(29)34/h15-17,23-25,37H,7-12,18H2,1-6H3/t23-,24-,25-,31-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM25744 (3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335967 (1-(1-(isopropylsulfonyl)piperidin-4-yl)-3-(4-(trif...) Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H22F3N3O3S/c1-11(2)26(24,25)22-9-7-14(8-10-22)21-15(23)20-13-5-3-12(4-6-13)16(17,18)19/h3-6,11,14H,7-10H2,1-2H3,(H2,20,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in human OVCAR5 assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR method				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368957 (CHEMBL4171957) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N1CCOCC1 |r,c:17,23| Show InChI InChI=1S/C34H43NO3/c1-32(2,3)15-16-34(37)14-13-30-28-11-7-24-21-26(36)10-12-27(24)31(28)29(22-33(30,34)4)23-5-8-25(9-6-23)35-17-19-38-20-18-35/h5-6,8-9,21,28-30,37H,7,10-14,17-20,22H2,1-4H3/t28-,29+,30-,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335973 (1-(1-acetylpiperidin-4-yl)-3-(4-tert-butylcyclohex...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CCC(CC1)C(C)(C)C |(1.63,-5.6,;1.57,-7.14,;.21,-7.87,;2.88,-7.96,;4.25,-7.24,;5.55,-8.05,;5.49,-9.6,;4.14,-10.32,;2.83,-9.51,;6.8,-10.41,;6.75,-11.95,;5.39,-12.68,;8.07,-12.76,;8.05,-14.31,;6.71,-15.06,;6.69,-16.59,;8.02,-17.38,;9.36,-16.62,;9.38,-15.08,;8,-18.92,;6.66,-19.67,;9.32,-19.7,;7.98,-20.45,)| Show InChI InChI=1S/C18H33N3O2/c1-13(22)21-11-9-16(10-12-21)20-17(23)19-15-7-5-14(6-8-15)18(2,3)4/h14-16H,5-12H2,1-4H3,(H2,19,20,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335974 (1-(1-Acetyl-piperidin-4-yl)-3-bicyclo[2.2.1]hept-7...) Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1C2CCC1CC2 Show InChI InChI=1S/C15H25N3O2/c1-10(19)18-8-6-13(7-9-18)16-15(20)17-14-11-2-3-12(14)5-4-11/h11-14H,2-9H2,1H3,(H2,16,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368936 (CHEMBL4159430) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccccc1 |r,c:14,20| Show InChI InChI=1S/C27H30O2/c1-3-14-27(29)15-13-24-22-11-9-19-16-20(28)10-12-21(19)25(22)23(17-26(24,27)2)18-7-5-4-6-8-18/h4-8,16,22-24,29H,9-13,15,17H2,1-2H3/t22-,23+,24-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368977 (CHEMBL4163069 | US11124537, TABLE 3.31.1) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:17,23| Show InChI InChI=1S/C32H41NO2/c1-30(2,3)17-18-32(35)16-15-28-26-13-9-22-19-24(34)12-14-25(22)29(26)27(20-31(28,32)4)21-7-10-23(11-8-21)33(5)6/h7-8,10-11,19,26-28,35H,9,12-16,20H2,1-6H3/t26-,27+,28-,31-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368945 (CHEMBL4169685) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)OC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:36| Show InChI InChI=1S/C32H43NO3/c1-30(2,36-6)17-18-32(35)16-15-28-26-13-9-22-19-24(34)12-14-25(22)29(26)27(20-31(28,32)3)21-7-10-23(11-8-21)33(4)5/h7-8,10-11,19,25-29,35H,9,12-16,20H2,1-6H3/t25-,26-,27+,28-,29+,31-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368925 (CHEMBL4174418) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)C |r,c:17,23| Show InChI InChI=1S/C33H42O2/c1-21(2)22-7-9-23(10-8-22)28-20-32(6)29(15-16-33(32,35)18-17-31(3,4)5)27-13-11-24-19-25(34)12-14-26(24)30(27)28/h7-10,19,21,27-29,35H,11-16,20H2,1-6H3/t27-,28+,29-,32-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368948 (CHEMBL4170986 | US11124537, TABLE 3.5.2) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(C)cc1 |r,c:17,23| Show InChI InChI=1S/C31H38O2/c1-20-6-8-21(9-7-20)26-19-30(5)27(14-15-31(30,33)17-16-29(2,3)4)25-12-10-22-18-23(32)11-13-24(22)28(25)26/h6-9,18,25-27,33H,10-15,19H2,1-5H3/t25-,26+,27-,30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368933 (CHEMBL4161754) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37| Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in human OVCAR5 assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 24 hrs by RT-qPCR method				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368974 (CHEMBL4161175 | US11124537, TABLE 3.6.1) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(OC)cc1 |r,c:17,23| Show InChI InChI=1S/C31H38O3/c1-29(2,3)16-17-31(33)15-14-27-25-12-8-21-18-22(32)9-13-24(21)28(25)26(19-30(27,31)4)20-6-10-23(34-5)11-7-20/h6-7,10-11,18,25-27,33H,8-9,12-15,19H2,1-5H3/t25-,26+,27-,30-,31+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368932 (CHEMBL4173222 | US11124537, TABLE 3.38.2) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N1CCS(=O)(=O)CC1 |r,c:17,23| Show InChI InChI=1S/C34H43NO4S/c1-32(2,3)15-16-34(37)14-13-30-28-11-7-24-21-26(36)10-12-27(24)31(28)29(22-33(30,34)4)23-5-8-25(9-6-23)35-17-19-40(38,39)20-18-35/h5-6,8-9,21,28-30,37H,7,10-14,17-20,22H2,1-4H3/t28-,29+,30-,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 6 hrs by RT-qPCR method				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368935 (CHEMBL4166499 | US11124537, TABLE 3.4.1) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(CC)cc1 |r,c:17,23| Show InChI InChI=1S/C32H40O2/c1-6-21-7-9-22(10-8-21)27-20-31(5)28(15-16-32(31,34)18-17-30(2,3)4)26-13-11-23-19-24(33)12-14-25(23)29(26)27/h7-10,19,26-28,34H,6,11-16,20H2,1-5H3/t26-,27+,28-,31-,32+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368934 (CHEMBL4167332) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1CCCCC1)C1=C3CCC(=O)C=C3CC[C@@]21[H] |r,c:21,27| Show InChI InChI=1S/C27H36O2/c1-3-14-27(29)15-13-24-22-11-9-19-16-20(28)10-12-21(19)25(22)23(17-26(24,27)2)18-7-5-4-6-8-18/h16,18,22-24,29H,4-13,15,17H2,1-2H3/t22-,23+,24-,26-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368938 (CHEMBL4162539 | US11124537, TABLE 3.7.2) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N1CCCC1 |r,c:17,23| Show InChI InChI=1S/C34H43NO2/c1-32(2,3)17-18-34(37)16-15-30-28-13-9-24-21-26(36)12-14-27(24)31(28)29(22-33(30,34)4)23-7-10-25(11-8-23)35-19-5-6-20-35/h7-8,10-11,21,28-30,37H,5-6,9,12-16,19-20,22H2,1-4H3/t28-,29+,30-,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Canis lupus familiaris)	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in dog PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368933 (CHEMBL4161754) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37| Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 6 hrs by RT-qPCR method				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Sus scrofa)	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in mini pig PBMC assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR metho...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368933 (CHEMBL4161754) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37| Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in human OVCAR5 assessed as reduction in dexamethasone-induced FKBP5 gene expression incubated for 24 hrs by RT-qPCR method				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50368933 (CHEMBL4161754) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37| Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human PR expressed in CHO-K1 cells assessed as reduction in progesterone-induced response incubated for 20 hrs by luciferase r...				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50368933 (CHEMBL4161754) Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37| Show InChI InChI=1S/C34H47NO2/c1-22(2)35(7)25-11-8-23(9-12-25)29-21-33(6)30(16-17-34(33,37)19-18-32(3,4)5)28-14-10-24-20-26(36)13-15-27(24)31(28)29/h8-9,11-12,20,22,27-31,37H,10,13-17,21H2,1-7H3/t27-,28-,29+,30-,31+,33-,34+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ORIC Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at GR in human PBMC assessed as reduction in dexamethasone-induced GILZ gene expression incubated for 6 hrs by RT-qPCR method				J Med Chem 61: 7767-7784 (2018) Article DOI: 10.1021/acs.jmedchem.8b00743 BindingDB Entry DOI: 10.7270/Q2C53PDJ
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50335975 (1-(1-Acetyl-piperidin-4-yl)-3-(4-methyl-bicyclo[2....) Show SMILES CC(=O)N1CCC(CC1)NC(=O)NC1CC2(C)CCC1CC2 |(19.45,7.01,;19.4,5.47,;18.03,4.74,;20.7,4.65,;22.06,5.37,;23.37,4.56,;23.3,3.02,;21.96,2.29,;20.65,3.11,;24.61,2.21,;24.57,.67,;23.21,-.06,;25.88,-.14,;25.86,-1.68,;26.33,-2.77,;26.12,-4.67,;26.14,-6.19,;27.5,-5.27,;27.19,-3.88,;25.83,-3.31,;24.39,-3.99,;24.61,-5.36,)| Show InChI InChI=1S/C17H29N3O2/c1-12(21)20-9-5-14(6-10-20)18-16(22)19-15-11-17(2)7-3-13(15)4-8-17/h13-15H,3-11H2,1-2H3,(H2,18,19,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Ar£te Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human soluble epoxide hydrolase				Bioorg Med Chem Lett 21: 983-8 (2011) Article DOI: 10.1016/j.bmcl.2010.12.042 BindingDB Entry DOI: 10.7270/Q20865KB
					More data for this Ligand-Target Pair

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