Compile Data Set for Download or QSAR

Found 257 hits with Last Name = 'furch' and Initial = 'ja'   

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))	BDBM50372090 (CHEMBL403668) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C17H15IN2O3/c1-16-5-6-17(2,23-16)13-12(16)14(21)20(15(13)22)10-4-3-9(8-19)11(18)7-10/h3-4,7,21-22H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372078 (CHEMBL272574) Show SMILES CC12C[C@@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:8.14,THB:12:14:7:2.3,9:8:7:2.3| Show InChI InChI=1S/C17H15IN2O4/c1-16-6-11(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-4-3-8(7-19)10(18)5-9/h3-5,11,21-23H,6H2,1-2H3/t11-,16?,17?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372088 (CHEMBL257668) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cc(Cl)cc(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C16H15Cl2NO3/c1-15-3-4-16(2,22-15)12-11(15)13(20)19(14(12)21)10-6-8(17)5-9(18)7-10/h5-7,20-21H,3-4H2,1-2H3	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372089 (CHEMBL272509) Show SMILES CSc1cc(ccc1C#N)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:11:13:23:20.19,15:14:23:20.19| Show InChI InChI=1S/C18H18N2O3S/c1-17-6-7-18(2,23-17)14-13(17)15(21)20(16(14)22)11-5-4-10(9-19)12(8-11)24-3/h4-5,8,21-22H,6-7H2,1-3H3	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372082 (CHEMBL446626) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c2nsnc12 |THB:11:13:6:2.3,8:7:6:2.3,(28.74,-48.8,;27.41,-49.58,;28.3,-50.89,;27.39,-51.64,;26.52,-50.54,;25.81,-51.91,;27.75,-48.2,;25.03,-50.57,;23.98,-49.8,;22.75,-50.2,;24.39,-48.57,;25.69,-48.58,;26.33,-47.45,;26.08,-49.81,;23.05,-47.8,;21.7,-48.58,;20.36,-47.8,;20.37,-46.25,;19.03,-45.49,;17.68,-44.73,;21.69,-45.47,;22.02,-43.95,;23.56,-43.79,;24.19,-45.21,;23.04,-46.25,)| Show InChI InChI=1S/C17H14N4O3S/c1-16-5-6-17(2,24-16)11-10(16)14(22)21(15(11)23)9-4-3-8(7-18)12-13(9)20-25-19-12/h3-4,22-23H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372103 (CHEMBL402807) Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |THB:9:8:7:5.4,1:2:7:5.4,(7.88,-13.23,;8.78,-12.29,;10.06,-12.46,;11.36,-11.72,;12.65,-12.28,;13.1,-11.18,;11.68,-10.45,;11.33,-9.07,;10.63,-11.29,;9.69,-10.39,;9.71,-9.09,;8.54,-11.01,;6.99,-10.97,;6.18,-12.3,;4.63,-12.26,;3.89,-10.89,;2.34,-10.85,;1.6,-9.49,;1.53,-12.17,;4.7,-9.57,;3.96,-8.22,;4.76,-6.91,;6.31,-6.94,;7.04,-8.3,;6.24,-9.61,)| Show InChI InChI=1S/C18H14N2O5/c21-17-15-13-7-8-14(25-13)16(15)18(22)19(17)11-5-6-12(20(23)24)10-4-2-1-3-9(10)11/h1-6,13-14,21-22H,7-8H2	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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372086 (CHEMBL403213) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cnc(C#N)c(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C16H14ClN3O3/c1-15-3-4-16(2,23-15)12-11(15)13(21)20(14(12)22)8-5-9(17)10(6-18)19-7-8/h5,7,21-22H,3-4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372079 (CHEMBL255331) Show SMILES CC12C[C@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:14.8,THB:9:8:7:3.2,12:14:7:3.2| Show InChI InChI=1S/C17H15IN2O4/c1-16-6-11(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-4-3-8(7-19)10(18)5-9/h3-5,11,21-23H,6H2,1-2H3/t11-,16?,17?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372085 (CHEMBL403061) Show SMILES COc1cc(ccc1-c1cnco1)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:14:16:26:23.22,18:17:26:23.22| Show InChI InChI=1S/C20H20N2O5/c1-19-6-7-20(2,27-19)16-15(19)17(23)22(18(16)24)11-4-5-12(13(8-11)25-3)14-9-21-10-26-14/h4-5,8-10,23-24H,6-7H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372087 (CHEMBL403214) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C17H15F3N2O5/c1-15-5-6-16(2,27-15)12-11(15)13(23)21(14(12)24)8-3-4-10(22(25)26)9(7-8)17(18,19)20/h3-4,7,23-24H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372091 (CHEMBL403669) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C18H15F3N2O3/c1-16-5-6-17(2,26-16)13-12(16)14(24)23(15(13)25)10-4-3-9(8-22)11(7-10)18(19,20)21/h3-4,7,24-25H,5-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372080 (CHEMBL403039) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc([N+]([O-])=O)c2c(Br)cccc12 |THB:11:13:6:2.3,8:7:6:2.3,(31.1,-48.31,;29.77,-49.09,;30.66,-50.4,;29.75,-51.15,;28.88,-50.05,;28.17,-51.42,;30.11,-47.72,;27.39,-50.08,;26.35,-49.32,;25.12,-49.71,;26.75,-48.09,;28.05,-48.09,;28.69,-46.97,;28.44,-49.33,;25.41,-47.32,;25.4,-45.77,;24.06,-44.99,;22.74,-45.77,;21.39,-45.01,;21.39,-43.46,;20.06,-45.78,;22.74,-47.32,;21.41,-48.09,;20.07,-47.32,;21.41,-49.64,;22.75,-50.4,;24.08,-49.63,;24.07,-48.09,)| Show InChI InChI=1S/C20H17BrN2O5/c1-19-8-9-20(2,28-19)16-15(19)17(24)22(18(16)25)12-6-7-13(23(26)27)14-10(12)4-3-5-11(14)21/h3-7,24-25H,8-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372084 (CHEMBL271262) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1c(N)ccc2ncsc12 |THB:11:13:6:2.3,8:7:6:2.3,(43.68,-48.16,;42.36,-48.94,;43.25,-50.24,;42.34,-50.99,;41.47,-49.89,;40.77,-51.26,;42.7,-47.56,;39.99,-49.92,;38.94,-49.16,;38.06,-49.55,;39.35,-47.93,;40.64,-47.94,;41.28,-46.81,;41.04,-49.17,;38.01,-47.17,;36.67,-47.94,;36.67,-49.48,;35.34,-47.17,;35.34,-45.62,;36.66,-44.84,;36.98,-43.33,;38.52,-43.17,;39.15,-44.59,;38,-45.62,)| Show InChI InChI=1S/C17H17N3O3S/c1-16-5-6-17(2,23-16)11-10(16)14(21)20(15(11)22)12-8(18)3-4-9-13(12)24-7-19-9/h3-4,7,21-22H,5-6,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372081 (CHEMBL255216) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)n2nccc12 |THB:11:13:6:2.3,8:7:6:2.3,(29.8,-48.84,;28.47,-49.62,;29.36,-50.93,;28.45,-51.68,;27.58,-50.57,;26.88,-51.94,;28.81,-48.25,;26.1,-50.61,;25.06,-49.84,;23.83,-50.24,;25.46,-48.62,;26.76,-48.62,;27.39,-47.5,;27.15,-49.85,;24.13,-47.85,;22.79,-48.62,;21.45,-47.85,;21.45,-46.31,;20.12,-45.55,;18.78,-44.79,;22.77,-45.53,;23.1,-44.01,;24.64,-43.86,;25.27,-45.27,;24.11,-46.3,)| Show InChI InChI=1S/C18H16N4O3/c1-17-6-7-18(2,25-17)14-13(17)15(23)21(16(14)24)11-4-3-10(9-19)22-12(11)5-8-20-22/h3-5,8,23-24H,6-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372104 (CHEMBL255776) Show SMILES Oc1c2C3CCC(C3)n2c(=O)n1-c1cccc(c1)C(F)(F)F |TLB:9:8:5.4:7,THB:1:2:5.4:7| Show InChI InChI=1S/C15H13F3N2O2/c16-15(17,18)9-2-1-3-10(7-9)20-13(21)12-8-4-5-11(6-8)19(12)14(20)22/h1-3,7-8,11,21H,4-6H2	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 Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372083 (CHEMBL271261) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1c(N)ccc2nccn12 |THB:11:13:6:2.3,8:7:6:2.3,(28.01,-48.56,;26.67,-49.34,;27.57,-50.65,;26.65,-51.4,;25.78,-50.29,;25.08,-51.67,;27.02,-47.96,;24.29,-50.33,;23.24,-49.56,;22.24,-49.9,;23.65,-48.33,;24.95,-48.33,;25.59,-47.2,;25.35,-49.57,;22.31,-47.56,;20.96,-48.33,;20.96,-49.88,;19.62,-47.56,;19.62,-46.01,;20.95,-45.22,;21.27,-43.7,;22.82,-43.54,;23.45,-44.96,;22.29,-46,)| Show InChI InChI=1S/C17H18N4O3/c1-16-5-6-17(2,24-16)12-11(16)14(22)21(15(12)23)13-9(18)3-4-10-19-7-8-20(10)13/h3-4,7-8,22-23H,5-6,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50156506 ((1S,6S,7S)-4-(4-Cyano-3-trifluoromethyl-phenyl)-3,...) Show SMILES CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21 Show InChI InChI=1S/C20H19F3N4O4/c1-19(2,3)31-18(30)25-9-12-7-14(25)15-16(28)27(17(29)26(12)15)11-5-4-10(8-24)13(6-11)20(21,22)23/h4-6,12,14,28H,7,9H2,1-3H3/t12-,14-/m0/s1	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 Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372092 (CHEMBL272510) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cccc(c1)C(F)(F)F |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C17H16F3NO3/c1-15-6-7-16(2,24-15)12-11(15)13(22)21(14(12)23)10-5-3-4-9(8-10)17(18,19)20/h3-5,8,22-23H,6-7H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM35909 (2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...) Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50372102 (CHEMBL402930) Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Br)c2ccccc12 |THB:9:8:7:5.4,1:2:7:5.4,(-5.34,-18.05,;-4.1,-17.65,;-3.05,-18.42,;-1.56,-18.38,;-.69,-19.49,;.23,-18.74,;-.67,-17.43,;-.32,-16.04,;-2,-17.66,;-2.4,-16.42,;-1.75,-15.29,;-3.7,-16.42,;-5.04,-15.65,;-6.39,-16.42,;-7.73,-15.65,;-7.73,-14.09,;-9.07,-13.32,;-6.39,-13.32,;-6.39,-11.78,;-5.07,-11.01,;-3.72,-11.78,;-3.72,-13.32,;-5.05,-14.09,)| Show InChI InChI=1S/C18H14BrNO3/c19-11-5-6-12(10-4-2-1-3-9(10)11)20-17(21)15-13-7-8-14(23-13)16(15)18(20)22/h1-6,13-14,21-22H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					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 Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50372098 (CHEMBL255367) Show SMILES Cc1cc(ccc1Cl)-n1c(O)c2C3CCC(O3)c2c1O |THB:18:17:16:14.13,9:11:16:14.13| Show InChI InChI=1S/C15H14ClNO3/c1-7-6-8(2-3-9(7)16)17-14(18)12-10-4-5-11(20-10)13(12)15(17)19/h2-3,6,10-11,18-19H,4-5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372101 (CHEMBL270586) Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(I)c(Cl)c1 |THB:9:8:7:5.4,1:2:7:5.4| Show InChI InChI=1S/C14H11ClINO3/c15-7-5-6(1-2-8(7)16)17-13(18)11-9-3-4-10(20-9)12(11)14(17)19/h1-2,5,9-10,18-19H,3-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	221	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50158073 ((2R,6S)-4-[3-(trifluoromethyl)phenyl]-4-azatricycl...) Show SMILES Oc1c2C3CCC(C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |TLB:1:2:7:5.4,THB:9:8:7:5.4| Show InChI InChI=1S/C16H14F3NO2/c17-16(18,19)10-2-1-3-11(7-10)20-14(21)12-8-4-5-9(6-8)13(12)15(20)22/h1-3,7-9,21-22H,4-6H2	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	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372100 (CHEMBL270450) Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |THB:9:8:7:5.4,1:2:7:5.4| Show InChI InChI=1S/C14H11Cl2NO3/c15-7-2-1-6(5-8(7)16)17-13(18)11-9-3-4-10(20-9)12(11)14(17)19/h1-2,5,9-10,18-19H,3-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	377	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372093 (CHEMBL404506) Show SMILES CC12CCC(O1)c1c(O)n(c(O)c21)-c1cccc(c1)C(F)(F)F |THB:10:12:5:2.3,7:6:5:2.3| Show InChI InChI=1S/C16H14F3NO3/c1-15-6-5-10(23-15)11-12(15)14(22)20(13(11)21)9-4-2-3-8(7-9)16(17,18)19/h2-4,7,10,21-22H,5-6H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372099 (CHEMBL437214) Show SMILES Cc1ccc(cc1Cl)-n1c(O)c2C3CCC(O3)c2c1O |THB:18:17:16:14.13,9:11:16:14.13| Show InChI InChI=1S/C15H14ClNO3/c1-7-2-3-8(6-9(7)16)17-14(18)12-10-4-5-11(20-10)13(12)15(17)19/h2-3,6,10-11,18-19H,4-5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	486	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372097 (CHEMBL271924) Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Cl)c(c1)[N+]([O-])=O |THB:9:8:7:5.4,1:2:7:5.4| Show InChI InChI=1S/C14H11ClN2O5/c15-7-2-1-6(5-8(7)17(20)21)16-13(18)11-9-3-4-10(22-9)12(11)14(16)19/h1-2,5,9-10,18-19H,3-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	692	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372096 (CHEMBL271925) Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Cl)c(c1)C(F)(F)F |THB:9:8:7:5.4,1:2:7:5.4| Show InChI InChI=1S/C15H11ClF3NO3/c16-8-2-1-6(5-7(8)15(17,18)19)20-13(21)11-9-3-4-10(23-9)12(11)14(20)22/h1-2,5,9-10,21-22H,3-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372095 (CHEMBL427721) Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(C#N)c(c1)C(F)(F)F |THB:9:8:7:5.4,1:2:7:5.4| Show InChI InChI=1S/C16H11F3N2O3/c17-16(18,19)9-5-8(2-1-7(9)6-20)21-14(22)12-10-3-4-11(24-10)13(12)15(21)23/h1-2,5,10-11,22-23H,3-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372094 (CHEMBL255157) Show SMILES Oc1c2C3CCC(O3)c2c(O)n1-c1cccc(c1)C(F)(F)F |THB:9:8:7:5.4,1:2:7:5.4| Show InChI InChI=1S/C15H12F3NO3/c16-15(17,18)7-2-1-3-8(6-7)19-13(20)11-9-4-5-10(22-9)12(11)14(19)21/h1-3,6,9-10,20-21H,4-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from human androgen receptor in MDA453 cells				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28569 (N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1 Show InChI InChI=1S/C17H18N6O2S2/c1-18-15-12-14(23(2)9-19-12)13-17(22-15)26-16(21-13)11-6-4-5-10(7-11)8-20-27(3,24)25/h4-7,9,20H,8H2,1-3H3,(H,18,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28545 (N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatr...) Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C15H13N5S/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50186457 (1-(4-(5-(2-(4,6-dimethylpyridin-2-ylamino)thiazol-...) Show SMILES COc1cc(C)c(Sc2cnc(Nc3cc(C)cc(C)n3)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H29N5O3S2/c1-15-10-17(3)27-22(11-15)28-25-26-14-23(35-25)34-21-13-19(20(33-5)12-16(21)2)24(32)30-8-6-29(7-9-30)18(4)31/h10-14H,6-9H2,1-5H3,(H,26,27,28)	PDB MMDB 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	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50186478 (1-(4-(5-(2-(6-bromopyridin-2-ylamino)thiazol-5-ylt...) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cccc(Br)n3)s2)ccc1O Show InChI InChI=1S/C21H20BrN5O3S2/c1-13(28)26-7-9-27(10-8-26)20(30)15-11-14(5-6-16(15)29)31-19-12-23-21(32-19)25-18-4-2-3-17(22)24-18/h2-6,11-12,29H,7-10H2,1H3,(H,23,24,25)	PDB MMDB 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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372091 (CHEMBL403669) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C18H15F3N2O3/c1-16-5-6-17(2,26-16)13-12(16)14(24)23(15(13)25)10-4-3-9(8-22)11(7-10)18(19,20)21/h3-4,7,24-25H,5-6H2,1-2H3	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor in MDA453 cells by alkaline phosphatase reporter gene assay				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372090 (CHEMBL403668) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C17H15IN2O3/c1-16-5-6-17(2,23-16)13-12(16)14(21)20(15(13)22)10-4-3-9(8-19)11(18)7-10/h3-4,7,21-22H,5-6H2,1-2H3	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor in MDA453 cells by alkaline phosphatase reporter gene assay				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50186487 (CHEMBL209881 | N-(5-(4-methoxy-2-methyl-5-(morphol...) Show SMILES CNCc1ccc([nH]1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCOCC3)c(OC)cc2C)s1 Show InChI InChI=1S/C23H27N5O4S2/c1-14-10-18(31-3)16(22(30)28-6-8-32-9-7-28)11-19(14)33-20-13-25-23(34-20)27-21(29)17-5-4-15(26-17)12-24-2/h4-5,10-11,13,24,26H,6-9,12H2,1-3H3,(H,25,27,29)	PDB MMDB 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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50186484 (1-(4-(5-(2-(4,6-dimethylpyridin-2-ylamino)thiazol-...) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Sc2cnc(Nc3cc(C)cc(C)n3)s2)ccc1O Show InChI InChI=1S/C23H25N5O3S2/c1-14-10-15(2)25-20(11-14)26-23-24-13-21(33-23)32-17-4-5-19(30)18(12-17)22(31)28-8-6-27(7-9-28)16(3)29/h4-5,10-13,30H,6-9H2,1-3H3,(H,24,25,26)	PDB MMDB 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	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50186459 (CHEMBL211842 | N-(5-(5-(1-acetylpiperazine-4-carbo...) Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C22H26N4O4S2/c1-13-10-17(30-3)16(21(29)26-8-6-25(7-9-26)14(2)27)11-18(13)31-19-12-23-22(32-19)24-20(28)15-4-5-15/h10-12,15H,4-9H2,1-3H3,(H,23,24,28)	PDB MMDB 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	9	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372079 (CHEMBL255331) Show SMILES CC12C[C@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:14.8,THB:9:8:7:3.2,12:14:7:3.2| Show InChI InChI=1S/C17H15IN2O4/c1-16-6-11(21)17(2,24-16)13-12(16)14(22)20(15(13)23)9-4-3-8(7-19)10(18)5-9/h3-5,11,21-23H,6H2,1-2H3/t11-,16?,17?/m0/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor in MDA453 cells by alkaline phosphatase reporter gene assay				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50372087 (CHEMBL403214) Show SMILES CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |THB:11:13:6:2.3,8:7:6:2.3| Show InChI InChI=1S/C17H15F3N2O5/c1-15-5-6-16(2,27-15)12-11(15)13(23)21(14(12)24)8-3-4-10(22(25)26)9(7-8)17(18,19)20/h3-4,7,23-24H,5-6H2,1-2H3	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor in MDA453 cells by alkaline phosphatase reporter gene assay				Bioorg Med Chem Lett 18: 1910-5 (2008) Article DOI: 10.1016/j.bmcl.2008.02.006 BindingDB Entry DOI: 10.7270/Q2DJ5GGT
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28544 (N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatri...) Show SMILES CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1 Show InChI InChI=1S/C15H13N5O/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50218834 (2-(6-chloro-5-(3-(2,4-difluorophenyl)-5,6,7,8-tetr...) Show SMILES CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(cc12)C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F Show InChI InChI=1S/C25H20ClF2N5O3/c1-31(2)25(36)22(34)18-11-29-21-9-19(26)17(8-16(18)21)24(35)32-5-6-33-14(12-32)10-30-23(33)15-4-3-13(27)7-20(15)28/h3-4,7-11,29H,5-6,12H2,1-2H3	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase				Bioorg Med Chem Lett 17: 5019-24 (2007) Article DOI: 10.1016/j.bmcl.2007.07.029 BindingDB Entry DOI: 10.7270/Q2XW4JHT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50186456 (CHEMBL211355 | N-(5-(5-(1-acetylpiperazine-4-carbo...) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ncc(Sc2cc(C(=O)N3CCN(CC3)C(C)=O)c(O)cc2C)s1 Show InChI InChI=1S/C26H29N5O4S2/c1-16-13-21(33)20(25(35)31-11-9-30(10-12-31)17(2)32)14-22(16)36-23-15-27-26(37-23)28-24(34)18-5-7-19(8-6-18)29(3)4/h5-8,13-15,33H,9-12H2,1-4H3,(H,27,28,34)	PDB MMDB 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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50218824 (2-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimi...) Show SMILES COc1cc2n(C)cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F Show InChI InChI=1S/C27H25F2N5O4/c1-31(2)27(37)24(35)20-14-32(3)22-11-23(38-4)19(10-18(20)22)26(36)33-7-8-34-16(13-33)12-30-25(34)17-6-5-15(28)9-21(17)29/h5-6,9-12,14H,7-8,13H2,1-4H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase				Bioorg Med Chem Lett 17: 5019-24 (2007) Article DOI: 10.1016/j.bmcl.2007.07.029 BindingDB Entry DOI: 10.7270/Q2XW4JHT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50218821 (1-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimi...) Show SMILES COc1nc2[nH]cc(C(=O)C(=O)N3CCC(O)C3)c2cc1C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F Show InChI InChI=1S/C27H24F2N6O5/c1-40-25-19(9-18-20(11-30-23(18)32-25)22(37)27(39)33-5-4-16(36)13-33)26(38)34-6-7-35-15(12-34)10-31-24(35)17-3-2-14(28)8-21(17)29/h2-3,8-11,16,36H,4-7,12-13H2,1H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase				Bioorg Med Chem Lett 17: 5019-24 (2007) Article DOI: 10.1016/j.bmcl.2007.07.029 BindingDB Entry DOI: 10.7270/Q2XW4JHT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50218820 (2-(6-chloro-5-(3-(2,4-difluorophenyl)-5,6,7,8-tetr...) Show SMILES CN(C)C(=O)C(=O)c1cn(C)c2cc(Cl)c(cc12)C(=O)N1CCn2c(C1)cnc2-c1ccc(F)cc1F Show InChI InChI=1S/C26H22ClF2N5O3/c1-31(2)26(37)23(35)19-13-32(3)22-10-20(27)18(9-17(19)22)25(36)33-6-7-34-15(12-33)11-30-24(34)16-5-4-14(28)8-21(16)29/h4-5,8-11,13H,6-7,12H2,1-3H3	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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase				Bioorg Med Chem Lett 17: 5019-24 (2007) Article DOI: 10.1016/j.bmcl.2007.07.029 BindingDB Entry DOI: 10.7270/Q2XW4JHT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50186461 (CHEMBL209163 | N-(5-(5-(1-acetylpiperazine-4-carbo...) Show SMILES COc1cc(C)c(Sc2cnc(NC(=O)c3ccc[nH]3)s2)cc1C(=O)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H25N5O4S2/c1-14-11-18(32-3)16(22(31)28-9-7-27(8-10-28)15(2)29)12-19(14)33-20-13-25-23(34-20)26-21(30)17-5-4-6-24-17/h4-6,11-13,24H,7-10H2,1-3H3,(H,25,26,30)	PDB MMDB 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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Itk				Bioorg Med Chem Lett 16: 3706-12 (2006) Article DOI: 10.1016/j.bmcl.2006.04.060 BindingDB Entry DOI: 10.7270/Q20C4VBR
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM28556 (N-ethyl-12-methyl-8-(methylamino)-5-thia-3,7,10,12...) Show SMILES CCNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1 Show InChI InChI=1S/C12H14N6OS/c1-4-14-10(19)12-16-7-8-6(15-5-18(8)3)9(13-2)17-11(7)20-12/h5H,4H2,1-3H3,(H,13,17)(H,14,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	22
Bristol-Myers Squibb Company					Assay Description Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...				J Med Chem 52: 1994-2005 (2009) Article DOI: 10.1021/jm8015816 BindingDB Entry DOI: 10.7270/Q2DB804M
					More data for this Ligand-Target Pair

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