Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50013662   

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
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50067678 ((6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-di...) Show SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| Show InChI InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG 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
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133136 (5-[1-(2-Ethyl-phenyl)-meth-(Z)-ylidene]-9-fluoro-2...) Show SMILES CCc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28| Show InChI InChI=1S/C28H26FNO/c1-5-18-8-6-7-9-19(18)14-25-27-21(22-15-20(29)10-13-24(22)31-25)11-12-23-26(27)17(2)16-28(3,4)30-23/h6-16,30H,5H2,1-4H3/b25-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133144 (9-Fluoro-5-[1-(2-methoxy-phenyl)-meth-(Z)-ylidene]...) Show SMILES COc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28| Show InChI InChI=1S/C27H24FNO2/c1-16-15-27(2,3)29-21-11-10-19-20-14-18(28)9-12-23(20)31-24(26(19)25(16)21)13-17-7-5-6-8-22(17)30-4/h5-15,29H,1-4H3/b24-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133140 (9-Fluoro-2,2,4-trimethyl-5-[1-thiophen-3-yl-meth-(...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccsc4)c3c12 |t:1| Show InChI InChI=1S/C24H20FNOS/c1-14-12-24(2,3)26-19-6-5-17-18-11-16(25)4-7-20(18)27-21(23(17)22(14)19)10-15-8-9-28-13-15/h4-13,26H,1-3H3/b21-10-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133132 (9-Fluoro-5-[1-furan-2-yl-meth-(Z)-ylidene]-2,2,4-t...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccco4)c3c12 |t:1| Show InChI InChI=1S/C24H20FNO2/c1-14-13-24(2,3)26-19-8-7-17-18-11-15(25)6-9-20(18)28-21(23(17)22(14)19)12-16-5-4-10-27-16/h4-13,26H,1-3H3/b21-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133141 (9-Fluoro-2,2,4-trimethyl-5-[1-(3-methyl-pyridin-2-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ncccc4C)c3c12 |t:1| Show InChI InChI=1S/C26H23FN2O/c1-15-6-5-11-28-21(15)13-23-25-18(19-12-17(27)7-10-22(19)30-23)8-9-20-24(25)16(2)14-26(3,4)29-20/h5-14,29H,1-4H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133153 (9-Fluoro-2,2,4-trimethyl-5-[1-(3-methyl-pyridin-4-...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccncc4C)c3c12 |t:1| Show InChI InChI=1S/C26H23FN2O/c1-15-13-26(3,4)29-21-7-6-19-20-12-18(27)5-8-22(20)30-23(25(19)24(15)21)11-17-9-10-28-14-16(17)2/h5-14,29H,1-4H3/b23-11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133146 (7-Fluoro-2,2,4-trimethyl-5-[1-phenyl-meth-(Z)-ylid...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-13-12-18-19-10-7-11-20(27)25(19)29-22(24(18)23(16)21)14-17-8-5-4-6-9-17/h4-15,28H,1-3H3/b22-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133133 (7-Fluoro-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-yli...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H24FNO/c1-16-8-5-6-9-18(16)14-23-25-19(20-10-7-11-21(28)26(20)30-23)12-13-22-24(25)17(2)15-27(3,4)29-22/h5-15,29H,1-4H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	297	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133151 (CHEMBL336353 | {2-[9-Fluoro-2,2,4-trimethyl-1,2-di...) Show SMILES CN(C)c1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:29| Show InChI InChI=1S/C28H27FN2O/c1-17-16-28(2,3)30-22-12-11-20-21-15-19(29)10-13-24(21)32-25(27(20)26(17)22)14-18-8-6-7-9-23(18)31(4)5/h6-16,30H,1-5H3/b25-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133131 (9-Fluoro-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-yli...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C)c3c12 |t:1| Show InChI InChI=1S/C27H24FNO/c1-16-7-5-6-8-18(16)13-24-26-20(21-14-19(28)9-12-23(21)30-24)10-11-22-25(26)17(2)15-27(3,4)29-22/h5-15,29H,1-4H3/b24-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133135 (9-Fluoro-2,2,4-trimethyl-5-[1-(2-methylsulfanyl-ph...) Show SMILES CSc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28| Show InChI InChI=1S/C27H24FNOS/c1-16-15-27(2,3)29-21-11-10-19-20-14-18(28)9-12-22(20)30-23(26(19)25(16)21)13-17-7-5-6-8-24(17)31-4/h5-15,29H,1-4H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM8903 ((1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltet...) Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20| Show InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50133152 (9-Fluoro-2,2,4-trimethyl-5-[1-phenyl-meth-(Z)-ylid...) Show SMILES CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4)c3c12 |t:1| Show InChI InChI=1S/C26H22FNO/c1-16-15-26(2,3)28-21-11-10-19-20-14-18(27)9-12-22(20)29-23(25(19)24(16)21)13-17-7-5-4-6-8-17/h4-15,28H,1-3H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M				J Med Chem 46: 4104-12 (2003) Article DOI: 10.1021/jm020477g BindingDB Entry DOI: 10.7270/Q2QZ29C6
					More data for this Ligand-Target Pair