Compile Data Set for Download or QSAR

Found 310 hits with Last Name = 'rossi' and Initial = 'l'   

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
Translocator protein (Rattus norvegicus (rat))	BDBM22038 (2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...) Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	-50.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22041 (2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...) Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	-49.3	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50038168 (7-Chloro-4-hydroxy-3-(3-phenoxy-phenyl)-1H-quinoli...) Show SMILES Oc1c(-c2cccc(Oc3ccccc3)c2)c(=O)[nH]c2cc(Cl)ccc12 Show InChI InChI=1S/C21H14ClNO3/c22-14-9-10-17-18(12-14)23-21(25)19(20(17)24)13-5-4-8-16(11-13)26-15-6-2-1-3-7-15/h1-12H,(H2,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50122646 (CHEMBL3623125) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)c1ccccc1F)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C24H19F4N3O5S/c1-22-10-17(30-37(34,35)16-6-4-3-5-15(16)25)23(2,36-22)19-18(22)20(32)31(21(19)33)13-8-7-12(11-29)14(9-13)24(26,27)28/h3-9,17-19,30H,10H2,1-2H3/t17-,18-,19+,22+,23+/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	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis				ACS Med Chem Lett 6: 908-12 (2015) Article DOI: 10.1021/acsmedchemlett.5b00173 BindingDB Entry DOI: 10.7270/Q2QV3P96
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471539 (CHEMBL117627) Show SMILES Nc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1 Show InChI InChI=1S/C18H13Cl2N3O3/c19-9-7-13(20)16-12(17(18(25)26)23-14(16)8-9)5-6-15(24)22-11-3-1-10(21)2-4-11/h1-8,23H,21H2,(H,22,24)(H,25,26)/p-1/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471520 (CHEMBL117691) Show SMILES NC(=O)Nc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1 Show InChI InChI=1S/C19H14Cl2N4O4/c20-9-7-13(21)16-12(17(18(27)28)25-14(16)8-9)5-6-15(26)23-10-1-3-11(4-2-10)24-19(22)29/h1-8,25H,(H,23,26)(H,27,28)(H3,22,24,29)/p-1/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50122650 (CHEMBL3623127) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C20H20F3N3O5S/c1-4-32(29,30)25-13-8-18(2)14-15(19(13,3)31-18)17(28)26(16(14)27)11-6-5-10(9-24)12(7-11)20(21,22)23/h5-7,13-15,25H,4,8H2,1-3H3/t13-,14-,15+,18+,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis				ACS Med Chem Lett 6: 908-12 (2015) Article DOI: 10.1021/acsmedchemlett.5b00173 BindingDB Entry DOI: 10.7270/Q2QV3P96
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471528 (CHEMBL168394) Show SMILES Oc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1 Show InChI InChI=1S/C18H12Cl2N2O4/c19-9-7-13(20)16-12(17(18(25)26)22-14(16)8-9)5-6-15(24)21-10-1-3-11(23)4-2-10/h1-8,22-23H,(H,21,24)(H,25,26)/p-1/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50122647 (CHEMBL3623126) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)c1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C23H19F3N4O5S/c1-21-9-16(29-36(33,34)14-4-3-7-28-11-14)22(2,35-21)18-17(21)19(31)30(20(18)32)13-6-5-12(10-27)15(8-13)23(24,25)26/h3-8,11,16-18,29H,9H2,1-2H3/t16-,17-,18+,21+,22+/m1/s1	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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis				ACS Med Chem Lett 6: 908-12 (2015) Article DOI: 10.1021/acsmedchemlett.5b00173 BindingDB Entry DOI: 10.7270/Q2QV3P96
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50122640 (CHEMBL3623119) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C21H20F3N3O4/c1-4-14(28)26-13-8-19(2)15-16(20(13,3)31-19)18(30)27(17(15)29)11-6-5-10(9-25)12(7-11)21(22,23)24/h5-7,13,15-16H,4,8H2,1-3H3,(H,26,28)/t13-,15-,16+,19+,20+/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	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis				ACS Med Chem Lett 6: 908-12 (2015) Article DOI: 10.1021/acsmedchemlett.5b00173 BindingDB Entry DOI: 10.7270/Q2QV3P96
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471538 (CHEMBL168754) Show SMILES Nc1ccccc1NC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O Show InChI InChI=1S/C18H13Cl2N3O3/c19-9-7-11(20)16-10(17(18(25)26)23-14(16)8-9)5-6-15(24)22-13-4-2-1-3-12(13)21/h1-8,23H,21H2,(H,22,24)(H,25,26)/p-1/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471526 (GAVESTINEL SODIUM | Gavestinel) Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/p-1/b7-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					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	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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471521 (CHEMBL355109) Show SMILES Oc1cccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)c1 Show InChI InChI=1S/C18H12Cl2N2O4/c19-9-6-13(20)16-12(17(18(25)26)22-14(16)7-9)4-5-15(24)21-10-2-1-3-11(23)8-10/h1-8,22-23H,(H,21,24)(H,25,26)/p-1/b5-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471544 (CHEMBL166552) Show SMILES Oc1ccccc1NC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O Show InChI InChI=1S/C18H12Cl2N2O4/c19-9-7-11(20)16-10(17(18(25)26)22-13(16)8-9)5-6-15(24)21-12-3-1-2-4-14(12)23/h1-8,22-23H,(H,21,24)(H,25,26)/p-1/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471550 (CHEMBL169566) Show SMILES Nc1cccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)c1 Show InChI InChI=1S/C18H13Cl2N3O3/c19-9-6-13(20)16-12(17(18(25)26)23-14(16)7-9)4-5-15(24)22-11-3-1-2-10(21)8-11/h1-8,23H,21H2,(H,22,24)(H,25,26)/p-1/b5-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471549 (CHEMBL262537) Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C18H10Cl2F2N2O3/c19-8-5-11(20)16-10(17(18(26)27)24-14(16)6-8)2-4-15(25)23-13-3-1-9(21)7-12(13)22/h1-7,24H,(H,23,25)(H,26,27)/p-1/b4-2+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471522 (CHEMBL433725) Show SMILES CCOc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1 Show InChI InChI=1S/C20H16Cl2N2O4/c1-2-28-13-5-3-12(4-6-13)23-17(25)8-7-14-18-15(22)9-11(21)10-16(18)24-19(14)20(26)27/h3-10,24H,2H2,1H3,(H,23,25)(H,26,27)/p-1/b8-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471548 (CHEMBL354980) Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1cccc(c1F)[N+]([O-])=O Show InChI InChI=1S/C18H10Cl2FN3O5/c19-8-6-10(20)15-9(17(18(26)27)23-12(15)7-8)4-5-14(25)22-11-2-1-3-13(16(11)21)24(28)29/h1-7,23H,(H,22,25)(H,26,27)/p-1/b5-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471537 (CHEMBL168465) Show SMILES [O-]C(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccc(F)cc1 Show InChI InChI=1S/C18H11Cl2FN2O3/c19-9-7-13(20)16-12(17(18(25)26)23-14(16)8-9)5-6-15(24)22-11-3-1-10(21)2-4-11/h1-8,23H,(H,22,24)(H,25,26)/p-1/b6-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50005075 ((2R,4S)-5,7-Dichloro-4-(3-phenyl-ureido)-1,2,3,4-t...) Show SMILES OC(=O)[C@H]1C[C@H](NC(=O)Nc2ccccc2)c2c(Cl)cc(Cl)cc2N1 Show InChI InChI=1S/C17H15Cl2N3O3/c18-9-6-11(19)15-12(7-9)21-14(16(23)24)8-13(15)22-17(25)20-10-4-2-1-3-5-10/h1-7,13-14,21H,8H2,(H,23,24)(H2,20,22,25)/t13-,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50122643 (CHEMBL3623122) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)ON1CCN(C)CC1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C24H26F3N5O5/c1-22-11-16(29-21(35)36-31-8-6-30(3)7-9-31)23(2,37-22)18-17(22)19(33)32(20(18)34)14-5-4-13(12-28)15(10-14)24(25,26)27/h4-5,10,16-18H,6-9,11H2,1-3H3,(H,29,35)/t16-,17-,18+,22+,23+/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	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis				ACS Med Chem Lett 6: 908-12 (2015) Article DOI: 10.1021/acsmedchemlett.5b00173 BindingDB Entry DOI: 10.7270/Q2QV3P96
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50038161 (6,7-Dichloro-3-hydroxy-5-nitro-3,4-dihydro-1H-quin...) Show SMILES [O-][N+](=O)c1c(Cl)c(Cl)cc2[n-]c(=[OH+])c(=O)[nH]c12 Show InChI InChI=1S/C8H3Cl2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H2,11,12,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471534 (CHEMBL168470) Show SMILES COc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1OC Show InChI InChI=1S/C20H16Cl2N2O5/c1-28-15-5-3-11(9-16(15)29-2)23-17(25)6-4-12-18-13(22)7-10(21)8-14(18)24-19(12)20(26)27/h3-9,24H,1-2H3,(H,23,25)(H,26,27)/p-1/b6-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50122635 (CHEMBL3623114) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@@H]1O)c1ccc(C#N)c(I)c1 |r,TLB:16:15:1.7:11| 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/h3-5,11-13,21H,6H2,1-2H3/t11-,12+,13-,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	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis				ACS Med Chem Lett 6: 908-12 (2015) Article DOI: 10.1021/acsmedchemlett.5b00173 BindingDB Entry DOI: 10.7270/Q2QV3P96
					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
Translocator protein (Rattus norvegicus (rat))	BDBM22032 (1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...) Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.30	-42.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471540 (CHEMBL169013) Show SMILES Oc1c(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cccc1[N+]([O-])=O Show InChI InChI=1S/C18H11Cl2N3O6/c19-8-6-10(20)15-9(16(18(26)27)22-12(15)7-8)4-5-14(24)21-11-2-1-3-13(17(11)25)23(28)29/h1-7,22,25H,(H,21,24)(H,26,27)/p-1/b5-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50122645 (CHEMBL3623124) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C24H20F3N3O5S/c1-22-11-17(29-36(33,34)15-6-4-3-5-7-15)23(2,35-22)19-18(22)20(31)30(21(19)32)14-9-8-13(12-28)16(10-14)24(25,26)27/h3-10,17-19,29H,11H2,1-2H3/t17-,18-,19+,22+,23+/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis				ACS Med Chem Lett 6: 908-12 (2015) Article DOI: 10.1021/acsmedchemlett.5b00173 BindingDB Entry DOI: 10.7270/Q2QV3P96
					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))	BDBM50122644 (CHEMBL3623123) Show SMILES [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(C)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11| Show InChI InChI=1S/C19H18F3N3O5S/c1-17-7-12(24-31(3,28)29)18(2,30-17)14-13(17)15(26)25(16(14)27)10-5-4-9(8-23)11(6-10)19(20,21)22/h4-6,12-14,24H,7H2,1-3H3/t12-,13-,14+,17+,18+/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	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol Myers-Squibb Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]-DHT from androgen receptor in human MDA-MB-453 cells after 90 mins by TopCount analysis				ACS Med Chem Lett 6: 908-12 (2015) Article DOI: 10.1021/acsmedchemlett.5b00173 BindingDB Entry DOI: 10.7270/Q2QV3P96
					More data for this Ligand-Target Pair
Translocator protein (Rattus norvegicus (rat))	BDBM22037 (2-Phenylindolglyoxylamide Derivative, 6 | 2-[2-(4-...) Show SMILES [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12 Show InChI InChI=1S/C28H25FN6O5/c29-18-11-9-17(10-12-18)24-23(19-7-3-4-8-20(19)32-24)27(36)28(37)31-16-6-2-1-5-15-30-21-13-14-22(35(38)39)26-25(21)33-40-34-26/h3-4,7-14,30,32H,1-2,5-6,15-16H2,(H,31,37)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-42.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471541 (CHEMBL354793) Show SMILES CN(C)c1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)cc1 Show InChI InChI=1S/C20H17Cl2N3O3/c1-25(2)13-5-3-12(4-6-13)23-17(26)8-7-14-18-15(22)9-11(21)10-16(18)24-19(14)20(27)28/h3-10,24H,1-2H3,(H,23,26)(H,27,28)/p-1/b8-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					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))	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))	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
Translocator protein (Rattus norvegicus (rat))	BDBM22036 (2-Phenylindolglyoxylamide Derivative, 5 | 7-nitrob...) Show SMILES [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccccc2)c2n[o+][n-]c12 Show InChI InChI=1S/C28H26N6O5/c35-27(23-19-12-6-7-13-20(19)31-24(23)18-10-4-3-5-11-18)28(36)30-17-9-2-1-8-16-29-21-14-15-22(34(37)38)26-25(21)32-39-33-26/h3-7,10-15,29,31H,1-2,8-9,16-17H2,(H,30,36)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	-41.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471547 (CHEMBL168503) Show SMILES COc1ccc(NC(=O)\C=C\c2c([nH]c3cc(Cl)cc(Cl)c23)C([O-])=O)c(C)c1 Show InChI InChI=1S/C20H16Cl2N2O4/c1-10-7-12(28-2)3-5-15(10)23-17(25)6-4-13-18-14(22)8-11(21)9-16(18)24-19(13)20(26)27/h3-9,24H,1-2H3,(H,23,25)(H,26,27)/p-1/b6-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					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
Glutamate receptor ionotropic, NMDA 1 (RAT)	BDBM50471535 (CHEMBL169368) Show SMILES OC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C([O-])=O Show InChI InChI=1S/C12H7Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h1-4,15H,(H,16,17)(H,18,19)/p-1/b2-1+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome S.p.A. Curated by ChEMBL					Assay Description Inhibition of [3H]glycine to glycine binding site, associated with the N-methyl-D-aspartate glutamate receptor 1 in crude synaptic membranes prepared...				J Med Chem 40: 841-50 (1997) Article DOI: 10.1021/jm960644a BindingDB Entry DOI: 10.7270/Q2DJ5JBV
					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
Translocator protein (Rattus norvegicus (rat))	BDBM22035 (2-Phenylindolglyoxylamide Derivative, 4 | 2-[2-(4-...) Show SMILES [O-][N+](=O)c1ccc(NCCCCNC(=O)C(=O)c2c([nH]c3ccccc23)-c2ccc(F)cc2)c2n[o+][n-]c12 Show InChI InChI=1S/C26H21FN6O5/c27-16-9-7-15(8-10-16)22-21(17-5-1-2-6-18(17)30-22)25(34)26(35)29-14-4-3-13-28-19-11-12-20(33(36)37)24-23(19)31-38-32-24/h1-2,5-12,28,30H,3-4,13-14H2,(H,29,35)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	-40.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Universita di Pisa					Assay Description Assays were performed by incubating aliquots of rat kidney mitochondria suspensions with [3H]PK 11195 and a range of concentrations of the test compo...				J Med Chem 50: 404-7 (2007) Article DOI: 10.1021/jm061137o BindingDB Entry DOI: 10.7270/Q23J3B8X
					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

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