Compile Data Set for Download or QSAR

Found 341 hits with Last Name = 'negro-vilar' and Initial = 'a'   

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))	BDBM18617 ((18Z)-12-methoxy-18-{[3-(methoxymethyl)thiophen-2-...) Show SMILES COCc1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:30| Show InChI InChI=1S/C27H27NO4S/c1-15-13-27(2,3)28-18-7-6-17-24(23(15)18)21(12-22-16(14-30-4)10-11-33-22)32-20-9-8-19(29)26(31-5)25(17)20/h6-13,28-29H,14H2,1-5H3/b21-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	-51.5	0.200	n/a	0.200	n/a	n/a	7.5	4
Ligand Pharmaceuticals Inc.					Assay Description Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...				J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.200	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1523-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.007 BindingDB Entry DOI: 10.7270/Q22J6950
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.200	-57.6	n/a	n/a	5.10	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 5049-52 (2007) Article DOI: 10.1021/jm070231h BindingDB Entry DOI: 10.7270/Q29Z935Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.200	-57.6	n/a	n/a	5.10	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 49: 6143-6 (2006) Article DOI: 10.1021/jm060792t BindingDB Entry DOI: 10.7270/Q26971VV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18161 ((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r| Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	-56.5	n/a	n/a	5.70	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18605 (6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluorometh...) Show SMILES FC(F)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F Show InChI InChI=1S/C14H10F8N2O/c15-12(16)9-4-11(25)23-10-2-1-7(3-8(9)10)24(5-13(17,18)19)6-14(20,21)22/h1-4,12H,5-6H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18607 (6-[bis(2,2,2-trifluoroethyl)amino]-4-bromo-1,2-dih...) Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Br)c2c1 Show InChI InChI=1S/C13H9BrF6N2O/c14-9-4-11(23)21-10-2-1-7(3-8(9)10)22(5-12(15,16)17)6-13(18,19)20/h1-4H,5-6H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214923 ((Z)-5-(4-fluoro-2-(hydroxymethyl)benzylidene)-10-m...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3CO)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30| Show InChI InChI=1S/C28H28FNO4/c1-15-13-28(2,3)30-20-8-7-19-25(24(15)20)23(12-16-5-6-18(29)11-17(16)14-31)34-22-10-9-21(32)27(33-4)26(19)22/h5-13,20,24,30-32H,14H2,1-4H3/b23-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18578 (6-[bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl...) Show SMILES FC(F)CN(CC(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H11F7N2O/c15-11(16)5-23(6-12(17)18)7-1-2-10-8(3-7)9(14(19,20)21)4-13(24)22-10/h1-4,11-12H,5-6H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	-55.2	n/a	n/a	0.400	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18606 (6-[bis(2,2,2-trifluoroethyl)amino]-4-chloro-1,2-di...) Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Cl)c2c1 Show InChI InChI=1S/C13H9ClF6N2O/c14-9-4-11(23)21-10-2-1-7(3-8(9)10)22(5-12(15,16)17)6-13(18,19)20/h1-4H,5-6H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	0.890	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18622 ((18Z)-18-({3-[(1E)-1-(hydroxyimino)ethyl]thiophen-...) Show SMILES COc1c(O)ccc2OC(=Cc3sccc3C(C)N=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |w:10.10,t:30| Show InChI InChI=1S/C27H26N2O4S/c1-14-13-27(3,4)28-18-7-6-17-24(23(14)18)21(12-22-16(10-11-34-22)15(2)29-31)33-20-9-8-19(30)26(32-5)25(17)20/h6-13,15,28,30H,1-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	-48.9	1.10	n/a	5	n/a	n/a	7.5	4
Ligand Pharmaceuticals Inc.					Assay Description Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...				J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214929 ((Z)-5-(4-fluoro-2-((methoxymethoxy)methyl)benzylid...) Show SMILES COCOCc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:27.38,26.28,c:26,35,39| Show InChI InChI=1S/C30H32FNO5/c1-17-14-30(2,3)32-22-9-8-21-27(26(17)22)25(37-24-11-10-23(33)29(35-5)28(21)24)13-18-6-7-20(31)12-19(18)15-36-16-34-4/h6-14,22,26,32-33H,15-16H2,1-5H3/b25-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18616 ((18Z)-18-{[3-(hydroxymethyl)thiophen-2-yl]methylid...) Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3CO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:28| Show InChI InChI=1S/C26H25NO4S/c1-14-12-26(2,3)27-17-6-5-16-23(22(14)17)20(11-21-15(13-28)9-10-32-21)31-19-8-7-18(29)25(30-4)24(16)19/h5-12,27-29H,13H2,1-4H3/b20-11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	-48.6	0.200	n/a	0.200	n/a	n/a	7.5	4
Ligand Pharmaceuticals Inc.					Assay Description Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...				J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214949 ((Z)-5-(2-fluorobenzylidene)-10-methoxy-2,2,4-trime...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H26FNO3/c1-15-14-27(2,3)29-19-10-9-17-24(23(15)19)22(13-16-7-5-6-8-18(16)28)32-21-12-11-20(30)26(31-4)25(17)21/h5-14,19,23,29-30H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214919 ((Z)-(5-fluoro-2-((9-hydroxy-10-methoxy-2,2,4-trime...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3C(=O)N3CCCCC3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:30.31,38.40,c:30,t:28,37| Show InChI InChI=1S/C33H35FN2O4/c1-19-18-33(2,3)35-24-11-10-22-29(28(19)24)27(40-26-13-12-25(37)31(39-4)30(22)26)16-20-8-9-21(34)17-23(20)32(38)36-14-6-5-7-15-36/h8-13,16-18,24,28,35,37H,5-7,14-15H2,1-4H3/b27-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214932 ((Z)-5-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methy...) Show SMILES COc1c(O)ccc2O\C(=C/c3cc(F)cc4COCOc34)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.36,c:26,t:24,33| Show InChI InChI=1S/C29H28FNO5/c1-15-12-29(2,3)31-20-6-5-19-25(24(15)20)23(36-22-8-7-21(32)28(33-4)26(19)22)11-16-9-18(30)10-17-13-34-14-35-27(16)17/h5-12,20,24,31-32H,13-14H2,1-4H3/b23-11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18623 ((18Z)-12-methoxy-18-({3-[(1E)-1-(methoxyimino)ethy...) Show SMILES CO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:32| Show InChI InChI=1S/C28H28N2O4S/c1-15-14-28(3,4)29-19-8-7-18-25(24(15)19)22(13-23-17(11-12-35-23)16(2)30-33-6)34-21-10-9-20(31)27(32-5)26(18)21/h7-14,29,31H,1-6H3/b22-13-,30-16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	-47.5	0.200	n/a	0.100	n/a	n/a	7.5	4
Ligand Pharmaceuticals Inc.					Assay Description Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...				J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214942 ((Z)-5-(4-hydroxybenzylidene)-10-methoxy-2,2,4-trim...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(O)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H27NO4/c1-15-14-27(2,3)28-19-10-9-18-24(23(15)19)22(13-16-5-7-17(29)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,19,23,28-30H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18632 ((18Z)-18-{[3-(1-hydroxyethyl)thiophen-2-yl]methyli...) Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C(C)O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29| Show InChI InChI=1S/C27H27NO4S/c1-14-13-27(3,4)28-18-7-6-17-24(23(14)18)21(12-22-16(15(2)29)10-11-33-22)32-20-9-8-19(30)26(31-5)25(17)20/h6-13,15,28-30H,1-5H3/b21-12-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	-47.3	1.60	n/a	1.30	n/a	n/a	7.5	4
Ligand Pharmaceuticals Inc.					Assay Description Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...				J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18193 (1-ethyl-9-(trifluoromethyl)-1H,2H,3H,6H,7H-quinoli...) Show SMILES CCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O2/c1-2-19-3-4-21-12-7-10-8(5-11(12)19)9(14(15,16)17)6-13(20)18-10/h5-7H,2-4H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	-53.0	n/a	n/a	6.40	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18628 ((18Z)-12-methoxy-3,5,5-trimethyl-18-{[3-(2,2,2-tri...) Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C(O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:32| Show InChI InChI=1S/C27H24F3NO4S/c1-13-12-26(2,3)31-16-6-5-15-22(21(13)16)19(35-18-8-7-17(32)24(34-4)23(15)18)11-20-14(9-10-36-20)25(33)27(28,29)30/h5-12,25,31-33H,1-4H3/b19-11-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	-47.0	0.400	n/a	0.300	n/a	n/a	7.5	4
Ligand Pharmaceuticals Inc.					Assay Description Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...				J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214922 ((Z)-5-(3-hydroxybenzylidene)-10-methoxy-2,2,4-trim...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(O)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H27NO4/c1-15-14-27(2,3)28-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(29)12-16)32-21-11-10-20(30)26(31-4)25(18)21/h5-14,19,23,28-30H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18601 (6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-di...) Show SMILES Cc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F Show InChI InChI=1S/C14H12F6N2O/c1-8-4-12(23)21-11-3-2-9(5-10(8)11)22(6-13(15,16)17)7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214928 ((Z)-(2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-...) Show SMILES COc1c(O)ccc2O\C(=C/c3sccc3C(=O)N3CCCCC3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:36.37,28.29,c:28,t:26,35| Show InChI InChI=1S/C31H34N2O4S/c1-18-17-31(2,3)32-21-9-8-20-27(26(18)21)24(37-23-11-10-22(34)29(36-4)28(20)23)16-25-19(12-15-38-25)30(35)33-13-6-5-7-14-33/h8-12,15-17,21,26,32,34H,5-7,13-14H2,1-4H3/b24-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214921 ((Z)-5-(3-(pyridin-3-yl)benzylidene)-10-methoxy-2,2...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)-c3cccnc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.28,35.37,c:27,t:25,34| Show InChI InChI=1S/C32H30N2O3/c1-19-17-32(2,3)34-24-11-10-23-29(28(19)24)27(37-26-13-12-25(35)31(36-4)30(23)26)16-20-7-5-8-21(15-20)22-9-6-14-33-18-22/h5-18,24,28,34-35H,1-4H3/b27-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214935 (5-fluoro-2-((Z)-(9-hydroxy-10-methoxy-2,2,4-trimet...) Show SMILES COc1c(O)ccc2OC(=Cc3ccc(F)cc3CN=O)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:25.25,33.34,10.10,c:24,t:22,31| Show InChI InChI=1S/C28H27FN2O4/c1-15-13-28(2,3)31-20-8-7-19-25(24(15)20)23(12-16-5-6-18(29)11-17(16)14-30-33)35-22-10-9-21(32)27(34-4)26(19)22/h5-13,20,24,31-32H,14H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18522 (6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a | 6-[(2R,5...) Show SMILES C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Similars	Article PubMed	1.5	-52.4	n/a	n/a	7.10	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 5049-52 (2007) Article DOI: 10.1021/jm070231h BindingDB Entry DOI: 10.7270/Q29Z935Z
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18198 (1-(cyclopropylmethyl)-9-(trifluoromethyl)-1H,2H,3H...) Show SMILES FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(CC4CC4)c3cc12 Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)11-6-15(22)20-12-7-14-13(5-10(11)12)21(3-4-23-14)8-9-1-2-9/h5-7,9H,1-4,8H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	-52.2	n/a	n/a	1.40	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214933 ((Z)-10-methoxy-2,2,4-trimethyl-5-((6-methylpyridin...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)n3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.23,30.30,c:21,t:19,28| Show InChI InChI=1S/C27H28N2O3/c1-15-14-27(3,4)29-19-10-9-18-24(23(15)19)22(13-17-8-6-7-16(2)28-17)32-21-12-11-20(30)26(31-5)25(18)21/h6-14,19,23,29-30H,1-5H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214927 ((Z)-5-(4-chlorobenzylidene)-10-methoxy-2,2,4-trime...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(Cl)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C27H26ClNO3/c1-15-14-27(2,3)29-19-10-9-18-24(23(15)19)22(13-16-5-7-17(28)8-6-16)32-21-12-11-20(30)26(31-4)25(18)21/h5-14,19,23,29-30H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18588 (6-[(2,2-difluoroethyl)(2,2,2-trifluoroethyl)amino]...) Show SMILES FC(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H10F8N2O/c15-11(16)5-24(6-13(17,18)19)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	-52.1	n/a	n/a	0.200	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214943 (10-methoxy-2,2,4-trimethyl-5-[1-o-tolyl-meth-(Z)-y...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccccc3C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C28H29NO3/c1-16-8-6-7-9-18(16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214937 ((Z)-5-(4-ethylbenzylidene)-10-methoxy-2,2,4-trimet...) Show SMILES CCc1ccc(\C=C2/Oc3ccc(O)c(OC)c3C3=C2C2C(NC(C)(C)C=C2C)C=C3)cc1 |w:21.31,20.21,c:19,28,32| Show InChI InChI=1S/C29H31NO3/c1-6-18-7-9-19(10-8-18)15-24-26-20(27-23(33-24)14-13-22(31)28(27)32-5)11-12-21-25(26)17(2)16-29(3,4)30-21/h7-16,21,25,30-31H,6H2,1-5H3/b24-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214945 (10-methoxy-2,2,4-trimethyl-5-[1-p-tolyl-meth-(Z)-y...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(C)cc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C28H29NO3/c1-16-6-8-18(9-7-16)14-23-25-19(26-22(32-23)13-12-21(30)27(26)31-5)10-11-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/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	2.10	-46.0	1.40	n/a	0.200	n/a	n/a	7.5	4
Ligand Pharmaceuticals Inc.					Assay Description Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...				J Med Chem 50: 4699-709 (2007) Article DOI: 10.1021/jm070370z BindingDB Entry DOI: 10.7270/Q2T151XT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM18579 (6-[(2-chloro-2,2-difluoroethyl)(2,2-difluoroethyl)...) Show SMILES FC(F)CN(CC(F)(F)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H10ClF7N2O/c15-13(18,19)6-24(5-11(16)17)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	-51.3	n/a	n/a	0.400	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214947 ((Z)-5-fluoro-2-((9-hydroxy-10-methoxy-2,2,4-trimet...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(F)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:27.27,35.36,c:26,t:24,33| Show InChI InChI=1S/C30H31FN2O4/c1-16-15-30(2,3)32-21-10-9-19-26(25(16)21)24(37-23-12-11-22(34)28(36-6)27(19)23)13-17-7-8-18(31)14-20(17)29(35)33(4)5/h7-15,21,25,32,34H,1-6H3/b24-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50376852 (CHEMBL259820 | LGD-5552) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29| Show InChI InChI=1S/C28H26FNO3/c1-15-7-6-8-17(26(15)29)13-22-24-18(25-21(33-22)12-11-20(31)27(25)32-5)9-10-19-23(24)16(2)14-28(3,4)30-19/h6-14,30-31H,1-5H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human recombinant glucocorticoid receptor expressed in SF9 cells				Proc Natl Acad Sci USA 104: 19244-9 (2007) Article DOI: 10.1073/pnas.0705517104 BindingDB Entry DOI: 10.7270/Q21N820B
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214944 (10-methoxy-2,2,4-trimethyl-5-[1-m-tolyl-meth-(Z)-y...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28| Show InChI InChI=1S/C28H29NO3/c1-16-7-6-8-18(13-16)14-23-25-19(26-22(32-23)12-11-21(30)27(26)31-5)9-10-20-24(25)17(2)15-28(3,4)29-20/h6-15,20,24,29-30H,1-5H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214946 ((Z)-5-(2-methyl-3-(trifluoromethyl)benzylidene)-10...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3C)C(F)(F)F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.26,34.35,c:25,t:23,32| Show InChI InChI=1S/C29H28F3NO3/c1-15-14-28(3,4)33-20-10-9-18-25(24(15)20)23(36-22-12-11-21(34)27(35-5)26(18)22)13-17-7-6-8-19(16(17)2)29(30,31)32/h6-14,20,24,33-34H,1-5H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18589 (6-[(2-chloroethyl)(2,2,2-trifluoroethyl)amino]-4-(...) Show SMILES FC(F)(F)CN(CCCl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H11ClF6N2O/c15-3-4-23(7-13(16,17)18)8-1-2-11-9(5-8)10(14(19,20)21)6-12(24)22-11/h1-2,5-6H,3-4,7H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	-51.0	n/a	n/a	0.5	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214938 ((Z)-5-(4-methoxybenzylidene)-10-methoxy-2,2,4-trim...) Show SMILES COc1ccc(\C=C2/Oc3ccc(O)c(OC)c3C3=C2C2C(NC(C)(C)C=C2C)C=C3)cc1 |w:21.31,20.21,c:19,28,32| Show InChI InChI=1S/C28H29NO4/c1-16-15-28(2,3)29-20-11-10-19-25(24(16)20)23(14-17-6-8-18(31-4)9-7-17)33-22-13-12-21(30)27(32-5)26(19)22/h6-15,20,24,29-30H,1-5H3/b23-14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214936 ((Z)-5-(3-(trifluoromethyl)benzylidene)-10-methoxy-...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)C(F)(F)F)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:25.25,33.34,c:24,t:22,31| Show InChI InChI=1S/C28H26F3NO3/c1-15-14-27(2,3)32-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(12-16)28(29,30)31)35-21-11-10-20(33)26(34-4)25(18)21/h5-14,19,23,32-33H,1-4H3/b22-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18218 ((2R)-2-ethyl-1-(2,2,2-trifluoroethyl)-9-(trifluoro...) Show SMILES CC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H14F6N2O2/c1-2-8-6-26-13-5-11-9(3-12(13)24(8)7-15(17,18)19)10(16(20,21)22)4-14(25)23-11/h3-5,8H,2,6-7H2,1H3,(H,23,25)/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				J Med Chem 50: 2486-96 (2007) Article DOI: 10.1021/jm061329j BindingDB Entry DOI: 10.7270/Q20R9MNK
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214948 ((Z)-5-(4-isopropylbenzylidene)-10-methoxy-2,2,4-tr...) Show SMILES COc1c(O)ccc2O\C(=C/c3ccc(cc3)C(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30| Show InChI InChI=1S/C30H33NO3/c1-17(2)20-9-7-19(8-10-20)15-25-27-21(28-24(34-25)14-13-23(32)29(28)33-6)11-12-22-26(27)18(3)16-30(4,5)31-22/h7-17,22,26,31-32H,1-6H3/b25-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18584 (6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trif...) Show SMILES CC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C15H14F6N2O/c1-8(2)23(7-14(16,17)18)9-3-4-12-10(5-9)11(15(19,20)21)6-13(24)22-12/h3-6,8H,7H2,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	-50.7	n/a	n/a	0.900	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214920 ((Z)-5-(3-(thiophen-3-yl)benzylidene)-10-methoxy-2,...) Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(c3)-c3ccsc3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.36,c:26,t:24,33| Show InChI InChI=1S/C31H29NO3S/c1-18-16-31(2,3)32-23-9-8-22-28(27(18)23)26(35-25-11-10-24(33)30(34-4)29(22)25)15-19-6-5-7-20(14-19)21-12-13-36-17-21/h5-17,23,27,32-33H,1-4H3/b26-15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18599 (6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl...) Show SMILES CCN(C(C)C(C)=O)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O2/c1-4-21(9(2)10(3)22)11-5-6-14-12(7-11)13(16(17,18)19)8-15(23)20-14/h5-9H,4H2,1-3H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214934 ((Z)-5-(2-((diethylamino)methyl)-4-fluorobenzyliden...) Show SMILES CCN(CC)Cc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:28.39,27.29,c:27,36,40| Show InChI InChI=1S/C32H37FN2O3/c1-7-35(8-2)18-21-15-22(33)10-9-20(21)16-27-29-23(30-26(38-27)14-13-25(36)31(30)37-6)11-12-24-28(29)19(3)17-32(4,5)34-24/h9-17,24,28,34,36H,7-8,18H2,1-6H3/b27-16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50214926 ((Z)-2-((9-hydroxy-10-methoxy-2,2,4-trimethyl-1,2-d...) Show SMILES COc1c(O)ccc2O\C(=C/c3oc(C)cc3C(=O)N(C)C)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:26.27,34.34,c:25,t:23,32| Show InChI InChI=1S/C29H32N2O5/c1-15-14-29(3,4)30-19-9-8-17-25(24(15)19)23(36-21-11-10-20(32)27(34-7)26(17)21)13-22-18(12-16(2)35-22)28(33)31(5)6/h8-14,19,24,30,32H,1-7H3/b23-13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of radiolabeled dexamethasone from glucocorticoid receptor				Bioorg Med Chem Lett 17: 4158-62 (2007) Article DOI: 10.1016/j.bmcl.2007.05.062 BindingDB Entry DOI: 10.7270/Q2DF6QXW
					More data for this Ligand-Target Pair

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