Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50039247   

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
Androgen receptor (Homo sapiens (Human))	BDBM50323038 (4-[(1S,2S,6R,7R)-9-(6-Chloro-pyrimidin-4-yl)-1,7-d...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cc(Cl)ncn1 |r| Show InChI InChI=1S/C22H17ClF3N5O3/c1-20-8-30(15-6-14(23)28-10-29-15)9-21(2,34-20)17-16(20)18(32)31(19(17)33)12-4-3-11(7-27)13(5-12)22(24,25)26/h3-6,10,32-33H,8-9H2,1-2H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323017 (4-((1S,2S,6R,7R)-9-Methoxy-1,7-dimethyl-3,5-dioxo-...) Show SMILES CON1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O4/c1-17-8-24(28-3)9-18(2,29-17)14-13(17)15(26)25(16(14)27)11-5-4-10(7-23)12(6-11)19(20,21)22/h4-6,26-27H,8-9H2,1-3H3/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323023 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O5/c1-4-31-18(30)26-9-19(2)14-15(20(3,10-26)32-19)17(29)27(16(14)28)12-6-5-11(8-25)13(7-12)21(22,23)24/h5-7,28-29H,4,9-10H2,1-3H3/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323039 (4-((1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-9-pyrimidi...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1ncccn1 |r| Show InChI InChI=1S/C22H18F3N5O3/c1-20-10-29(19-27-6-3-7-28-19)11-21(2,33-20)16-15(20)17(31)30(18(16)32)13-5-4-12(9-26)14(8-13)22(23,24)25/h3-8,31-32H,10-11H2,1-2H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323024 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CCCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O5/c1-4-7-32-19(31)27-10-20(2)15-16(21(3,11-27)33-20)18(30)28(17(15)29)13-6-5-12(9-26)14(8-13)22(23,24)25/h5-6,8,29-30H,4,7,10-11H2,1-3H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323035 (3-[(1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phen...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C25H21F3N4O4/c1-23-11-31(15-5-3-4-13(8-15)20(30)33)12-24(2,36-23)19-18(23)21(34)32(22(19)35)16-7-6-14(10-29)17(9-16)25(26,27)28/h3-9,34-35H,11-12H2,1-2H3,(H2,30,33)/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323037 (4-[(1S,2S,6R,7R)-9-(3-Methanesulfonyl-phenyl)-1,7-...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H22F3N3O5S/c1-23-12-30(15-5-4-6-17(9-15)37(3,34)35)13-24(2,36-23)20-19(23)21(32)31(22(20)33)16-8-7-14(11-29)18(10-16)25(26,27)28/h4-10,32-33H,12-13H2,1-3H3/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323025 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CC(C)OC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O5/c1-11(2)32-19(31)27-9-20(3)15-16(21(4,10-27)33-20)18(30)28(17(15)29)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,29-30H,9-10H2,1-4H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323032 (4-[(1R,2R,6S,7S)-3,5-dioxo-9-(phenylsulfonyl)-11-o...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C24H20F3N3O5S/c1-22-12-29(36(33,34)16-6-4-3-5-7-16)13-23(2,35-22)19-18(22)20(31)30(21(19)32)15-9-8-14(11-28)17(10-15)24(25,26)27/h3-10,31-32H,12-13H2,1-2H3/t22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323015 (4-((1S,2S,6R,7R)-9-Isopropyl-1,7-dimethyl-3,5,8,10...) Show SMILES CC(C)N1C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C21H18F3N3O5/c1-9(2)26-17(30)19(3)13-14(20(4,32-19)18(26)31)16(29)27(15(13)28)11-6-5-10(8-25)12(7-11)21(22,23)24/h5-7,9,28-29H,1-4H3/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323018 (4-((1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-9-propyl-1...) Show SMILES CCCN1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O3/c1-4-7-26-10-19(2)15-16(20(3,11-26)30-19)18(29)27(17(15)28)13-6-5-12(9-25)14(8-13)21(22,23)24/h5-6,8,28-29H,4,7,10-11H2,1-3H3/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323031 (4-((1S,2S,6R,7R)-9-Ethanesulfonyl-1,7-dimethyl-3,5...) Show SMILES CCS(=O)(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O5S/c1-4-32(29,30)25-9-18(2)14-15(19(3,10-25)31-18)17(28)26(16(14)27)12-6-5-11(8-24)13(7-12)20(21,22)23/h5-7,27-28H,4,9-10H2,1-3H3/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323012 (2-Trifluoromethyl-4-((1S,2S,6R,7R)-1,7,9-trimethyl...) Show SMILES CN1C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C19H14F3N3O5/c1-17-11-12(18(2,30-17)16(29)24(3)15(17)28)14(27)25(13(11)26)9-5-4-8(7-23)10(6-9)19(20,21)22/h4-6,26-27H,1-3H3/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323011 (4-((1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-11-oxa-4,9...) Show SMILES C[C@@]12CNC[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F3N3O3/c1-16-7-23-8-17(2,27-16)13-12(16)14(25)24(15(13)26)10-4-3-9(6-22)11(5-10)18(19,20)21/h3-5,23,25-26H,7-8H2,1-2H3/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323036 (3-[(1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phen...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C24H21F3N4O5S/c1-22-11-30(14-4-3-5-16(8-14)37(29,34)35)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-7-6-13(10-28)17(9-15)24(25,26)27/h3-9,32-33H,11-12H2,1-2H3,(H2,29,34,35)/t22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323022 (4-((1S,2S,6R,7R)-9-Benzoyl-1,7-dimethyl-3,5-dioxo-...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H20F3N3O4/c1-23-12-30(20(32)14-6-4-3-5-7-14)13-24(2,35-23)19-18(23)21(33)31(22(19)34)16-9-8-15(11-29)17(10-16)25(26,27)28/h3-10,33-34H,12-13H2,1-2H3/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323029 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C25H20F4N4O4/c1-23-11-32(22(36)31-15-6-4-14(26)5-7-15)12-24(2,37-23)19-18(23)20(34)33(21(19)35)16-8-3-13(10-30)17(9-16)25(27,28)29/h3-9,34-35H,11-12H2,1-2H3,(H,31,36)/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323033 (4-[(1S,2S,6R,7R)-9-(4-Fluoro-benzenesulfonyl)-1,7-...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H19F4N3O5S/c1-22-11-30(37(34,35)16-7-4-14(25)5-8-16)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-6-3-13(10-29)17(9-15)24(26,27)28/h3-9,32-33H,11-12H2,1-2H3/t22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323021 (4-((1S,2S,6R,7R)-9-Cyclopropanecarbonyl-1,7-dimeth...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)C1CC1 |r| Show InChI InChI=1S/C22H20F3N3O4/c1-20-9-27(17(29)11-3-4-11)10-21(2,32-20)16-15(20)18(30)28(19(16)31)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,30-31H,3-4,9-10H2,1-2H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323016 (4-((1S,2S,6R,7R)-9-Hydroxy-1,7-dimethyl-3,5-dioxo-...) Show SMILES C[C@@]12CN(O)C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C18H16F3N3O4/c1-16-7-23(27)8-17(2,28-16)13-12(16)14(25)24(15(13)26)10-4-3-9(6-22)11(5-10)18(19,20)21/h3-5,25-27H,7-8H2,1-2H3/t16-,17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323020 (4-((1S,2S,6R,7R)-9-Isobutyryl-1,7-dimethyl-3,5-dio...) Show SMILES CC(C)C(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O4/c1-11(2)17(29)27-9-20(3)15-16(21(4,10-27)32-20)19(31)28(18(15)30)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,30-31H,9-10H2,1-4H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323028 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C25H21F3N4O4/c1-23-12-31(22(35)30-15-6-4-3-5-7-15)13-24(2,36-23)19-18(23)20(33)32(21(19)34)16-9-8-14(11-29)17(10-16)25(26,27)28/h3-10,33-34H,12-13H2,1-2H3,(H,30,35)/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323013 (4-((1S,2S,6R,7R)-9-Cyclopropylmethyl-1,7-dimethyl-...) Show SMILES C[C@@]12O[C@@](C)(c3c(O)n(c(O)c13)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(CC1CC1)C2=O |r| Show InChI InChI=1S/C22H18F3N3O5/c1-20-14-15(21(2,33-20)19(32)27(18(20)31)9-10-3-4-10)17(30)28(16(14)29)12-6-5-11(8-26)13(7-12)22(23,24)25/h5-7,10,29-30H,3-4,9H2,1-2H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323030 (4-((1S,2S,6R,7R)-9-Methanesulfonyl-1,7-dimethyl-3,...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(C)(=O)=O |r| Show InChI InChI=1S/C19H18F3N3O5S/c1-17-8-24(31(3,28)29)9-18(2,30-17)14-13(17)15(26)25(16(14)27)11-5-4-10(7-23)12(6-11)19(20,21)22/h4-6,26-27H,8-9H2,1-3H3/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18525 (Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...) Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50323019 (4-[(1R,2R,6S,7S)-3,5-dioxo-9-propionyl-11-oxa-4,9-...) Show SMILES CCC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O4/c1-4-14(28)26-9-19(2)15-16(20(3,10-26)31-19)18(30)27(17(15)29)12-6-5-11(8-25)13(7-12)21(22,23)24/h5-7,29-30H,4,9-10H2,1-3H3/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323034 (4-[(1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-9-(pyridin...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C23H19F3N4O5S/c1-21-11-29(36(33,34)16-5-3-4-8-28-16)12-22(2,35-21)18-17(21)19(31)30(20(18)32)14-7-6-13(10-27)15(9-14)23(24,25)26/h3-9,31-32H,11-12H2,1-2H3/t21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323027 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CC(C)NC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H23F3N4O4/c1-11(2)27-19(32)28-9-20(3)15-16(21(4,10-28)33-20)18(31)29(17(15)30)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,30-31H,9-10H2,1-4H3,(H,27,32)/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323026 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CCNC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N4O4/c1-4-26-18(31)27-9-19(2)14-15(20(3,10-27)32-19)17(30)28(16(14)29)12-6-5-11(8-25)13(7-12)21(22,23)24/h5-7,29-30H,4,9-10H2,1-3H3,(H,26,31)/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323014 (4-((1S,2S,6R,7R)-9-Isopropyl-1,7-dimethyl-3,5,8,10...) Show SMILES CC(C)[N+]1([O-])C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C21H18F3N3O6/c1-9(2)27(32)17(30)19(3)13-14(20(4,33-19)18(27)31)16(29)26(15(13)28)11-6-5-10(8-25)12(7-11)21(22,23)24/h5-7,9,28-29H,1-4H3/t19-,20+,27?	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [3H]DHT from AR in human MDA-MB-453 cells				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323035 (3-[(1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phen...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C25H21F3N4O4/c1-23-11-31(15-5-3-4-13(8-15)20(30)33)12-24(2,36-23)19-18(23)21(34)32(22(19)35)16-7-6-14(10-29)17(9-16)25(26,27)28/h3-9,34-35H,11-12H2,1-2H3,(H2,30,33)/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323037 (4-[(1S,2S,6R,7R)-9-(3-Methanesulfonyl-phenyl)-1,7-...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H22F3N3O5S/c1-23-12-30(15-5-4-6-17(9-15)37(3,34)35)13-24(2,36-23)20-19(23)21(32)31(22(20)33)16-8-7-14(11-29)18(10-16)25(26,27)28/h4-10,32-33H,12-13H2,1-3H3/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323024 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CCCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O5/c1-4-7-32-19(31)27-10-20(2)15-16(21(3,11-27)33-20)18(30)28(17(15)29)13-6-5-12(9-26)14(8-13)22(23,24)25/h5-6,8,29-30H,4,7,10-11H2,1-3H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323038 (4-[(1S,2S,6R,7R)-9-(6-Chloro-pyrimidin-4-yl)-1,7-d...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cc(Cl)ncn1 |r| Show InChI InChI=1S/C22H17ClF3N5O3/c1-20-8-30(15-6-14(23)28-10-29-15)9-21(2,34-20)17-16(20)18(32)31(19(17)33)12-4-3-11(7-27)13(5-12)22(24,25)26/h3-6,10,32-33H,8-9H2,1-2H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323025 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CC(C)OC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O5/c1-11(2)32-19(31)27-9-20(3)15-16(21(4,10-27)33-20)18(30)28(17(15)29)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,29-30H,9-10H2,1-4H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323018 (4-((1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-9-propyl-1...) Show SMILES CCCN1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O3/c1-4-7-26-10-19(2)15-16(20(3,11-26)30-19)18(29)27(17(15)28)13-6-5-12(9-25)14(8-13)21(22,23)24/h5-6,8,28-29H,4,7,10-11H2,1-3H3/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323028 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C25H21F3N4O4/c1-23-12-31(22(35)30-15-6-4-3-5-7-15)13-24(2,36-23)19-18(23)20(33)32(21(19)34)16-9-8-14(11-29)17(10-16)25(26,27)28/h3-10,33-34H,12-13H2,1-2H3,(H,30,35)/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323017 (4-((1S,2S,6R,7R)-9-Methoxy-1,7-dimethyl-3,5-dioxo-...) Show SMILES CON1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C19H18F3N3O4/c1-17-8-24(28-3)9-18(2,29-17)14-13(17)15(26)25(16(14)27)11-5-4-10(7-23)12(6-11)19(20,21)22/h4-6,26-27H,8-9H2,1-3H3/t17-,18+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323018 (4-((1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-9-propyl-1...) Show SMILES CCCN1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F3N3O3/c1-4-7-26-10-19(2)15-16(20(3,11-26)30-19)18(29)27(17(15)28)13-6-5-12(9-25)14(8-13)21(22,23)24/h5-6,8,28-29H,4,7,10-11H2,1-3H3/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at wild type human AR expressed in human LNCAP cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323039 (4-((1S,2S,6R,7R)-1,7-Dimethyl-3,5-dioxo-9-pyrimidi...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1ncccn1 |r| Show InChI InChI=1S/C22H18F3N5O3/c1-20-10-29(19-27-6-3-7-28-19)11-21(2,33-20)16-15(20)17(31)30(18(16)32)13-5-4-12(9-26)14(8-13)22(23,24)25/h3-8,31-32H,10-11H2,1-2H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323015 (4-((1S,2S,6R,7R)-9-Isopropyl-1,7-dimethyl-3,5,8,10...) Show SMILES CC(C)N1C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r| Show InChI InChI=1S/C21H18F3N3O5/c1-9(2)26-17(30)19(3)13-14(20(4,32-19)18(26)31)16(29)27(15(13)28)11-6-5-10(8-25)12(7-11)21(22,23)24/h5-7,9,28-29H,1-4H3/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323036 (3-[(1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phen...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O |r| Show InChI InChI=1S/C24H21F3N4O5S/c1-22-11-30(14-4-3-5-16(8-14)37(29,34)35)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-7-6-13(10-28)17(9-15)24(25,26)27/h3-9,32-33H,11-12H2,1-2H3,(H2,29,34,35)/t22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323029 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C25H20F4N4O4/c1-23-11-32(22(36)31-15-6-4-14(26)5-7-15)12-24(2,37-23)19-18(23)20(34)33(21(19)35)16-8-3-13(10-30)17(9-16)25(27,28)29/h3-9,34-35H,11-12H2,1-2H3,(H,31,36)/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323022 (4-((1S,2S,6R,7R)-9-Benzoyl-1,7-dimethyl-3,5-dioxo-...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C25H20F3N3O4/c1-23-12-30(20(32)14-6-4-3-5-7-14)13-24(2,35-23)19-18(23)21(33)31(22(19)34)16-9-8-15(11-29)17(10-16)25(26,27)28/h3-10,33-34H,12-13H2,1-2H3/t23-,24+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323024 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CCCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O5/c1-4-7-32-19(31)27-10-20(2)15-16(21(3,11-27)33-20)18(30)28(17(15)29)13-6-5-12(9-26)14(8-13)22(23,24)25/h5-6,8,29-30H,4,7,10-11H2,1-3H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at wild type human AR expressed in human LNCAP cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323033 (4-[(1S,2S,6R,7R)-9-(4-Fluoro-benzenesulfonyl)-1,7-...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H19F4N3O5S/c1-22-11-30(37(34,35)16-7-4-14(25)5-8-16)12-23(2,36-22)19-18(22)20(32)31(21(19)33)15-6-3-13(10-29)17(9-15)24(26,27)28/h3-9,32-33H,11-12H2,1-2H3/t22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323023 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H20F3N3O5/c1-4-31-18(30)26-9-19(2)14-15(20(3,10-26)32-19)17(29)27(16(14)28)12-6-5-11(8-25)13(7-12)21(22,23)24/h5-7,28-29H,4,9-10H2,1-3H3/t19-,20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323025 ((1S,2S,6R,7R)-4-(4-Cyano-3-trifluoromethyl-phenyl)...) Show SMILES CC(C)OC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C22H22F3N3O5/c1-11(2)32-19(31)27-9-20(3)15-16(21(4,10-27)33-20)18(30)28(17(15)29)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,29-30H,9-10H2,1-4H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at wild type human AR expressed in human LNCAP cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323021 (4-((1S,2S,6R,7R)-9-Cyclopropanecarbonyl-1,7-dimeth...) Show SMILES C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)C1CC1 |r| Show InChI InChI=1S/C22H20F3N3O4/c1-20-9-27(17(29)11-3-4-11)10-21(2,32-20)16-15(20)18(30)28(19(16)31)13-6-5-12(8-26)14(7-13)22(23,24)25/h5-7,11,30-31H,3-4,9-10H2,1-2H3/t20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50323031 (4-((1S,2S,6R,7R)-9-Ethanesulfonyl-1,7-dimethyl-3,5...) Show SMILES CCS(=O)(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C20H20F3N3O5S/c1-4-32(29,30)25-9-18(2)14-15(19(3,10-25)31-18)17(28)26(16(14)27)12-6-5-11(8-24)13(7-12)20(21,22)23/h5-7,27-28H,4,9-10H2,1-3H3/t18-,19+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at human wild type AR expressed in human MDA-MB-435 cells by transactivation assay				Bioorg Med Chem Lett 20: 4491-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.034 BindingDB Entry DOI: 10.7270/Q2MK6DVH
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 90 total )  |  Next  |  Last  >>

Jump to: