Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 2258   

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))	BDBM18721 (6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-{[(2-p...) Show SMILES COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCCc3ccccc3)c2c1 |t:18| Show InChI InChI=1S/C27H28FNOS/c1-27(2)17-21(18-31-14-13-19-7-5-4-6-8-19)23-15-20(9-11-25(23)29-27)24-16-22(28)10-12-26(24)30-3/h4-12,15-17,29H,13-14,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18720 (2-chloro-3-{2,2-dimethyl-4-[(prop-2-en-1-ylsulfany...) Show SMILES CC1(C)Nc2ccc(cc2C(CSCC=C)=C1)-c1cccc(O)c1Cl |c:16| Show InChI InChI=1S/C21H22ClNOS/c1-4-10-25-13-15-12-21(2,3)23-18-9-8-14(11-17(15)18)16-6-5-7-19(24)20(16)22/h4-9,11-12,23-24H,1,10,13H2,2-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18719 (6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[(prop...) Show SMILES COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:18| Show InChI InChI=1S/C22H24FNOS/c1-5-10-26-14-16-13-22(2,3)24-20-8-6-15(11-18(16)20)19-12-17(23)7-9-21(19)25-4/h5-9,11-13,24H,1,10,14H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18713 (6-(2-methoxyphenyl)-2,2-dimethyl-4-{[(2-phenylethy...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCCc3ccccc3)c2c1 |t:17| Show InChI InChI=1S/C27H29NOS/c1-27(2)18-22(19-30-16-15-20-9-5-4-6-10-20)24-17-21(13-14-25(24)28-27)23-11-7-8-12-26(23)29-3/h4-14,17-18,28H,15-16,19H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18722 (2-chloro-3-(2,2-dimethyl-4-{[(2-phenylethyl)sulfan...) Show SMILES CC1(C)Nc2ccc(cc2C(CSCCc2ccccc2)=C1)-c1cccc(O)c1Cl |c:22| Show InChI InChI=1S/C26H26ClNOS/c1-26(2)16-20(17-30-14-13-18-7-4-3-5-8-18)22-15-19(11-12-23(22)28-26)21-9-6-10-24(29)25(21)27/h3-12,15-16,28-29H,13-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18709 (6-(2-methoxyphenyl)-2,2-dimethyl-4-{[(2-methylbuty...) Show SMILES CCC(C)CSCC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:7| Show InChI InChI=1S/C24H31NOS/c1-6-17(2)15-27-16-19-14-24(3,4)25-22-12-11-18(13-21(19)22)20-9-7-8-10-23(20)26-5/h7-14,17,25H,6,15-16H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18705 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[(prop-2-en-1-y...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:17| Show InChI InChI=1S/C22H25NOS/c1-5-12-25-15-17-14-22(2,3)23-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)24-4/h5-11,13-14,23H,1,12,15H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18717 (6-(2-fluorophenyl)-2,2-dimethyl-4-[(prop-2-en-1-yl...) Show SMILES CC1(C)Nc2ccc(cc2C(CSCC=C)=C1)-c1ccccc1F |c:16| Show InChI InChI=1S/C21H22FNS/c1-4-11-24-14-16-13-21(2,3)23-20-10-9-15(12-18(16)20)17-7-5-6-8-19(17)22/h4-10,12-13,23H,1,11,14H2,2-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18708 (4-[(cyclohexylsulfanyl)methyl]-6-(2-methoxyphenyl)...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC3CCCCC3)c2c1 |t:17| Show InChI InChI=1S/C25H31NOS/c1-25(2)16-19(17-28-20-9-5-4-6-10-20)22-15-18(13-14-23(22)26-25)21-11-7-8-12-24(21)27-3/h7-8,11-16,20,26H,4-6,9-10,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	371	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18705 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[(prop-2-en-1-y...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:17| Show InChI InChI=1S/C22H25NOS/c1-5-12-25-15-17-14-22(2,3)23-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)24-4/h5-11,13-14,23H,1,12,15H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18718 (6-(3-methoxyphenyl)-2,2-dimethyl-4-[(prop-2-en-1-y...) Show SMILES COc1cccc(c1)-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:17| Show InChI InChI=1S/C22H25NOS/c1-5-11-25-15-18-14-22(2,3)23-21-10-9-17(13-20(18)21)16-7-6-8-19(12-16)24-4/h5-10,12-14,23H,1,11,15H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18707 (4-[(cyclopentylsulfanyl)methyl]-6-(2-methoxyphenyl...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC3CCCC3)c2c1 |t:17| Show InChI InChI=1S/C24H29NOS/c1-24(2)15-18(16-27-19-8-4-5-9-19)21-14-17(12-13-22(21)25-24)20-10-6-7-11-23(20)26-3/h6-7,10-15,19,25H,4-5,8-9,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	548	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18715 (1-({[6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroq...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC(C)=O)c2c1 |t:17| Show InChI InChI=1S/C21H23NO2S/c1-14(23)25-13-16-12-21(2,3)22-19-10-9-15(11-18(16)19)17-7-5-6-8-20(17)24-4/h5-12,22H,13H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18712 (4-[(benzylsulfanyl)methyl]-6-(2-methoxyphenyl)-2,2...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCc3ccccc3)c2c1 |t:17| Show InChI InChI=1S/C26H27NOS/c1-26(2)16-21(18-29-17-19-9-5-4-6-10-19)23-15-20(13-14-24(23)27-26)22-11-7-8-12-25(22)28-3/h4-16,27H,17-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18710 (6-(2-methoxyphenyl)-2,2-dimethyl-4-{[(3-methylbuty...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCCC(C)C)c2c1 |t:17| Show InChI InChI=1S/C24H31NOS/c1-17(2)12-13-27-16-19-15-24(3,4)25-22-11-10-18(14-21(19)22)20-8-6-7-9-23(20)26-5/h6-11,14-15,17,25H,12-13,16H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	703	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18714 (4-{[(4-chlorophenyl)sulfanyl]methyl}-6-(2-methoxyp...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSc3ccc(Cl)cc3)c2c1 |t:17| Show InChI InChI=1S/C25H24ClNOS/c1-25(2)15-18(16-29-20-11-9-19(26)10-12-20)22-14-17(8-13-23(22)27-25)21-6-4-5-7-24(21)28-3/h4-15,27H,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18711 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[(phenylsulfany...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSc3ccccc3)c2c1 |t:17| Show InChI InChI=1S/C25H25NOS/c1-25(2)16-19(17-28-20-9-5-4-6-10-20)22-15-18(13-14-23(22)26-25)21-11-7-8-12-24(21)27-3/h4-16,26H,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	804	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18720 (2-chloro-3-{2,2-dimethyl-4-[(prop-2-en-1-ylsulfany...) Show SMILES CC1(C)Nc2ccc(cc2C(CSCC=C)=C1)-c1cccc(O)c1Cl |c:16| Show InChI InChI=1S/C21H22ClNOS/c1-4-10-25-13-15-12-21(2,3)23-18-9-8-14(11-17(15)18)16-6-5-7-19(24)20(16)22/h4-9,11-12,23-24H,1,10,13H2,2-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18718 (6-(3-methoxyphenyl)-2,2-dimethyl-4-[(prop-2-en-1-y...) Show SMILES COc1cccc(c1)-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:17| Show InChI InChI=1S/C22H25NOS/c1-5-11-25-15-18-14-22(2,3)23-21-10-9-17(13-20(18)21)16-7-6-8-19(12-16)24-4/h5-10,12-14,23H,1,11,15H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18706 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[(propylsulfany...) Show SMILES CCCSCC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:5| Show InChI InChI=1S/C22H27NOS/c1-5-12-25-15-17-14-22(2,3)23-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)24-4/h6-11,13-14,23H,5,12,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18722 (2-chloro-3-(2,2-dimethyl-4-{[(2-phenylethyl)sulfan...) Show SMILES CC1(C)Nc2ccc(cc2C(CSCCc2ccccc2)=C1)-c1cccc(O)c1Cl |c:22| Show InChI InChI=1S/C26H26ClNOS/c1-26(2)16-20(17-30-14-13-18-7-4-3-5-8-18)22-15-19(11-12-23(22)28-26)21-9-6-10-24(29)25(21)27/h3-12,15-16,28-29H,13-14,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18719 (6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[(prop...) Show SMILES COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:18| Show InChI InChI=1S/C22H24FNOS/c1-5-10-26-14-16-13-22(2,3)24-20-8-6-15(11-18(16)20)19-12-17(23)7-9-21(19)25-4/h5-9,11-13,24H,1,10,14H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18706 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[(propylsulfany...) Show SMILES CCCSCC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:5| Show InChI InChI=1S/C22H27NOS/c1-5-12-25-15-17-14-22(2,3)23-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)24-4/h6-11,13-14,23H,5,12,15H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18721 (6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-{[(2-p...) Show SMILES COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCCc3ccccc3)c2c1 |t:18| Show InChI InChI=1S/C27H28FNOS/c1-27(2)17-21(18-31-14-13-19-7-5-4-6-8-19)23-15-20(9-11-25(23)29-27)24-16-22(28)10-12-26(24)30-3/h4-12,15-17,29H,13-14,18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18716 (6-(2-methoxyphenyl)-2,2,4-trimethyl-1,2-dihydroqui...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(C)c2c1 |t:17| Show InChI InChI=1S/C19H21NO/c1-13-12-19(2,3)20-17-10-9-14(11-16(13)17)15-7-5-6-8-18(15)21-4/h5-12,20H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18714 (4-{[(4-chlorophenyl)sulfanyl]methyl}-6-(2-methoxyp...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSc3ccc(Cl)cc3)c2c1 |t:17| Show InChI InChI=1S/C25H24ClNOS/c1-25(2)15-18(16-29-20-11-9-19(26)10-12-20)22-14-17(8-13-23(22)27-25)21-6-4-5-7-24(21)28-3/h4-15,27H,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18713 (6-(2-methoxyphenyl)-2,2-dimethyl-4-{[(2-phenylethy...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCCc3ccccc3)c2c1 |t:17| Show InChI InChI=1S/C27H29NOS/c1-27(2)18-22(19-30-16-15-20-9-5-4-6-10-20)24-17-21(13-14-25(24)28-27)23-11-7-8-12-26(23)29-3/h4-14,17-18,28H,15-16,19H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18711 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[(phenylsulfany...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSc3ccccc3)c2c1 |t:17| Show InChI InChI=1S/C25H25NOS/c1-25(2)16-19(17-28-20-9-5-4-6-10-20)22-15-18(13-14-23(22)26-25)21-11-7-8-12-24(21)27-3/h4-16,26H,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18710 (6-(2-methoxyphenyl)-2,2-dimethyl-4-{[(3-methylbuty...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCCC(C)C)c2c1 |t:17| Show InChI InChI=1S/C24H31NOS/c1-17(2)12-13-27-16-19-15-24(3,4)25-22-11-10-18(14-21(19)22)20-8-6-7-9-23(20)26-5/h6-11,14-15,17,25H,12-13,16H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18709 (6-(2-methoxyphenyl)-2,2-dimethyl-4-{[(2-methylbuty...) Show SMILES CCC(C)CSCC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:7| Show InChI InChI=1S/C24H31NOS/c1-6-17(2)15-27-16-19-14-24(3,4)25-22-12-11-18(13-21(19)22)20-9-7-8-10-23(20)26-5/h7-14,17,25H,6,15-16H2,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18708 (4-[(cyclohexylsulfanyl)methyl]-6-(2-methoxyphenyl)...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC3CCCCC3)c2c1 |t:17| Show InChI InChI=1S/C25H31NOS/c1-25(2)16-19(17-28-20-9-5-4-6-10-20)22-15-18(13-14-23(22)26-25)21-11-7-8-12-24(21)27-3/h7-8,11-16,20,26H,4-6,9-10,17H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18707 (4-[(cyclopentylsulfanyl)methyl]-6-(2-methoxyphenyl...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC3CCCC3)c2c1 |t:17| Show InChI InChI=1S/C24H29NOS/c1-24(2)15-18(16-27-19-8-4-5-9-19)21-14-17(12-13-22(21)25-24)20-10-6-7-11-23(20)26-3/h6-7,10-15,19,25H,4-5,8-9,16H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18704 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[(prop-2-en-1-y...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(COCC=C)c2c1 |t:17| Show InChI InChI=1S/C22H25NO2/c1-5-12-25-15-17-14-22(2,3)23-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)24-4/h5-11,13-14,23H,1,12,15H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM18702 (dihydroquinoline compound, 14 | {[6-(2-methoxyphen...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CNCC=C)c2c1 |t:17| Show InChI InChI=1S/C22H26N2O/c1-5-12-23-15-17-14-22(2,3)24-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)25-4/h5-11,13-14,23-24H,1,12,15H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18717 (6-(2-fluorophenyl)-2,2-dimethyl-4-[(prop-2-en-1-yl...) Show SMILES CC1(C)Nc2ccc(cc2C(CSCC=C)=C1)-c1ccccc1F |c:16| Show InChI InChI=1S/C21H22FNS/c1-4-11-24-14-16-13-21(2,3)23-20-10-9-15(12-18(16)20)17-7-5-6-8-19(17)22/h4-10,12-13,23H,1,11,14H2,2-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18716 (6-(2-methoxyphenyl)-2,2,4-trimethyl-1,2-dihydroqui...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(C)c2c1 |t:17| Show InChI InChI=1S/C19H21NO/c1-13-12-19(2,3)20-17-10-9-14(11-16(13)17)15-7-5-6-8-18(15)21-4/h5-12,20H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18715 (1-({[6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroq...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC(C)=O)c2c1 |t:17| Show InChI InChI=1S/C21H23NO2S/c1-14(23)25-13-16-12-21(2,3)22-19-10-9-15(11-18(16)19)17-7-5-6-8-20(17)24-4/h5-12,22H,13H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18712 (4-[(benzylsulfanyl)methyl]-6-(2-methoxyphenyl)-2,2...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCc3ccccc3)c2c1 |t:17| Show InChI InChI=1S/C26H27NOS/c1-26(2)16-21(18-29-17-19-9-5-4-6-10-19)23-15-20(13-14-24(23)27-26)22-11-7-8-12-25(22)28-3/h4-16,27H,17-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18702 (dihydroquinoline compound, 14 | {[6-(2-methoxyphen...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(CNCC=C)c2c1 |t:17| Show InChI InChI=1S/C22H26N2O/c1-5-12-23-15-17-14-22(2,3)24-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)25-4/h5-11,13-14,23-24H,1,12,15H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18704 (6-(2-methoxyphenyl)-2,2-dimethyl-4-[(prop-2-en-1-y...) Show SMILES COc1ccccc1-c1ccc2NC(C)(C)C=C(COCC=C)c2c1 |t:17| Show InChI InChI=1S/C22H25NO2/c1-5-12-25-15-17-14-22(2,3)23-20-11-10-16(13-19(17)20)18-8-6-7-9-21(18)24-4/h5-11,13-14,23H,1,12,15H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	7.4	22
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.				Bioorg Med Chem Lett 16: 1549-52 (2006) Article DOI: 10.1016/j.bmcl.2005.12.043 BindingDB Entry DOI: 10.7270/Q25B00RG
					More data for this Ligand-Target Pair