Compile Data Set for Download or QSAR

Found 103 hits with Last Name = 'fedij' and Initial = 'v'   

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))	BDBM50220643 (6-((cyclopropylmethyl)(propyl)amino)-4-(trifluorom...) Show SMILES CCCN(CC1CC1)c1cc(c(cn1)C#N)C(F)(F)F Show InChI InChI=1S/C14H16F3N3/c1-2-5-20(9-10-3-4-10)13-6-12(14(15,16)17)11(7-18)8-19-13/h6,8,10H,2-5,9H2,1H3	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220635 (6-(butyl(methyl)amino)-4-(trifluoromethyl)nicotino...) Show SMILES CCCCN(C)c1cc(c(cn1)C#N)C(F)(F)F Show InChI InChI=1S/C12H14F3N3/c1-3-4-5-18(2)11-6-10(12(13,14)15)9(7-16)8-17-11/h6,8H,3-5H2,1-2H3	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353536 (CHEMBL1830778) Show SMILES CCCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C19H23F3N2O2/c1-5-6-12(2)24-11-18(3,4)16(17(24)25)26-14-8-7-13(10-23)15(9-14)19(20,21)22/h7-9,12,16H,5-6,11H2,1-4H3	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220642 (6-(sec-butyl(methyl)amino)-4-(trifluoromethyl)nico...) Show SMILES CCC(C)N(C)c1cc(c(cn1)C#N)C(F)(F)F |w:2.2| Show InChI InChI=1S/C12H14F3N3/c1-4-8(2)18(3)11-5-10(12(13,14)15)9(6-16)7-17-11/h5,7-8H,4H2,1-3H3	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353537 (CHEMBL1830775) Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353537 (CHEMBL1830775) Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319611 ((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...) Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353538 (CHEMBL1830944) Show SMILES CC1(C)CN(Cc2cccc(O)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-4-3-5-15(27)8-13)19(28)18(20)29-16-7-6-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3	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
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319611 ((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...) Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM25437 ((trifluoromethyl)benzonitrile, 14 | 4-{[(1R,2S)-2-...) Show SMILES FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in MDA-MB-453 cells assessed as inhibition of dihydrotestosterone-induced response in reporter gen...				Bioorg Med Chem Lett 17: 5983-8 (2007) Article DOI: 10.1016/j.bmcl.2007.07.075 BindingDB Entry DOI: 10.7270/Q27W6BWT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353539 (CHEMBL1830943) Show SMILES CC1(C)CN(Cc2ccccc2O)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-14-5-3-4-6-17(14)27)19(28)18(20)29-15-8-7-13(10-25)16(9-15)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50221436 (4-(2-cyano-cyclohexyl-oxy)-2-trifluoromethyl-benzo...) Show SMILES FC(F)(F)c1cc(OC2CCCCC2C#N)ccc1C#N |w:13.14,8.7| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at androgen receptor expressed in MDA-MB-453 cells assessed as inhibition of dihydrotestosterone-induced response in reporter gen...				Bioorg Med Chem Lett 17: 5983-8 (2007) Article DOI: 10.1016/j.bmcl.2007.07.075 BindingDB Entry DOI: 10.7270/Q27W6BWT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM25428 (4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...) Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3	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	n/a	n/a	15.9	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353540 (CHEMBL1830945) Show SMILES CC1(C)CN(Cc2ccc(O)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-3-6-15(27)7-4-13)19(28)18(20)29-16-8-5-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353539 (CHEMBL1830943) Show SMILES CC1(C)CN(Cc2ccccc2O)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-14-5-3-4-6-17(14)27)19(28)18(20)29-15-8-7-13(10-25)16(9-15)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM25432 (6-{methyl[(1R)-1-phenylethyl]amino}-4-(trifluorome...) Show SMILES C[C@@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C16H14F3N3/c1-11(12-6-4-3-5-7-12)22(2)15-8-14(16(17,18)19)13(9-20)10-21-15/h3-8,10-11H,1-2H3/t11-/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	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353541 (CHEMBL1830774) Show SMILES CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O2/c1-4-7-22-10-16(2,3)14(15(22)23)24-12-6-5-11(9-21)13(8-12)17(18,19)20/h5-6,8,14H,4,7,10H2,1-3H3	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353541 (CHEMBL1830774) Show SMILES CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C17H19F3N2O2/c1-4-7-22-10-16(2,3)14(15(22)23)24-12-6-5-11(9-21)13(8-12)17(18,19)20/h5-6,8,14H,4,7,10H2,1-3H3	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319612 ((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...) Show SMILES CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C22H21F3N2O2S/c1-21(2)13-27(12-14-4-8-17(30-3)9-5-14)20(28)19(21)29-16-7-6-15(11-26)18(10-16)22(23,24)25/h4-10,19H,12-13H2,1-3H3/t19-/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319612 ((R)-(+)-4-[4,4-Dimethyl-1-(4-methylsulfanyl-benzyl...) Show SMILES CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r| Show InChI InChI=1S/C22H21F3N2O2S/c1-21(2)13-27(12-14-4-8-17(30-3)9-5-14)20(28)19(21)29-16-7-6-15(11-26)18(10-16)22(23,24)25/h4-10,19H,12-13H2,1-3H3/t19-/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319611 ((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...) Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319611 ((R)-4-(1-benzyl-4,4-dimethyl-2-oxopyrrolidin-3-ylo...) Show SMILES CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F3N2O2/c1-20(2)13-26(12-14-6-4-3-5-7-14)19(27)18(20)28-16-9-8-15(11-25)17(10-16)21(22,23)24/h3-10,18H,12-13H2,1-2H3/t18-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM25428 (4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...) Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3	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	n/a	n/a	31.1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353540 (CHEMBL1830945) Show SMILES CC1(C)CN(Cc2ccc(O)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O3/c1-20(2)12-26(11-13-3-6-15(27)7-4-13)19(28)18(20)29-16-8-5-14(10-25)17(9-16)21(22,23)24/h3-9,18,27H,11-12H2,1-2H3	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353542 (CHEMBL1830779) Show SMILES CCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-5-11(2)23-10-17(3,4)15(16(23)24)25-13-7-6-12(9-22)14(8-13)18(19,20)21/h6-8,11,15H,5,10H2,1-4H3	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
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353543 (CHEMBL1830954) Show SMILES CC1(C)CN(Cc2noc(n2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-20(33-29-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353544 (CHEMBL1830769) Show SMILES CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50221435 (4-((trans)-2-cyanocyclohexyloxy)-2-(trifluoromethy...) Show SMILES FC(F)(F)c1cc(O[C@H]2CCCC[C@@H]2C#N)ccc1C#N Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/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	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5983-8 (2007) Article DOI: 10.1016/j.bmcl.2007.07.075 BindingDB Entry DOI: 10.7270/Q27W6BWT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353545 (CHEMBL1830952) Show SMILES CC1(C)CN(Cc2nc3ccccc3s2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O2S/c1-21(2)12-28(11-18-27-16-5-3-4-6-17(16)31-18)20(29)19(21)30-14-8-7-13(10-26)15(9-14)22(23,24)25/h3-9,19H,11-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319613 ((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...) Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/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	44	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319613 ((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...) Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/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	44	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM25432 (6-{methyl[(1R)-1-phenylethyl]amino}-4-(trifluorome...) Show SMILES C[C@@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C16H14F3N3/c1-11(12-6-4-3-5-7-12)22(2)15-8-14(16(17,18)19)13(9-20)10-21-15/h3-8,10-11H,1-2H3/t11-/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	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor expressed in MDA-MB-453 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353546 (CHEMBL1830941) Show SMILES CC1(C)CN(Cc2cccc(F)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-13-4-3-5-15(22)8-13)19(28)18(20)29-16-7-6-14(10-26)17(9-16)21(23,24)25/h3-9,18H,11-12H2,1-2H3	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353545 (CHEMBL1830952) Show SMILES CC1(C)CN(Cc2nc3ccccc3s2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C22H18F3N3O2S/c1-21(2)12-28(11-18-27-16-5-3-4-6-17(16)31-18)20(29)19(21)30-14-8-7-13(10-26)15(9-14)22(23,24)25/h3-9,19H,11-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353547 (CHEMBL1830955) Show SMILES CC1(C)CN(Cc2nc(no2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-20(29-33-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50221436 (4-(2-cyano-cyclohexyl-oxy)-2-trifluoromethyl-benzo...) Show SMILES FC(F)(F)c1cc(OC2CCCCC2C#N)ccc1C#N |w:13.14,8.7| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5983-8 (2007) Article DOI: 10.1016/j.bmcl.2007.07.075 BindingDB Entry DOI: 10.7270/Q27W6BWT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM25437 ((trifluoromethyl)benzonitrile, 14 | 4-{[(1R,2S)-2-...) Show SMILES FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]DHT from androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5983-8 (2007) Article DOI: 10.1016/j.bmcl.2007.07.075 BindingDB Entry DOI: 10.7270/Q27W6BWT
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353546 (CHEMBL1830941) Show SMILES CC1(C)CN(Cc2cccc(F)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-13-4-3-5-15(22)8-13)19(28)18(20)29-16-7-6-14(10-26)17(9-16)21(23,24)25/h3-9,18H,11-12H2,1-2H3	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353544 (CHEMBL1830769) Show SMILES CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353544 (CHEMBL1830769) Show SMILES CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C14H12F3NO3/c1-13(2)7-20-12(19)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220640 (6-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)nico...) Show SMILES CC1CCN(CC1)c1cc(c(cn1)C#N)C(F)(F)F Show InChI InChI=1S/C13H14F3N3/c1-9-2-4-19(5-3-9)12-6-11(13(14,15)16)10(7-17)8-18-12/h6,8-9H,2-5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50220644 (6-(dipropylamino)-4-(trifluoromethyl)nicotinonitri...) Show SMILES CCCN(CCC)c1cc(c(cn1)C#N)C(F)(F)F Show InChI InChI=1S/C13H16F3N3/c1-3-5-19(6-4-2)12-7-11(13(14,15)16)10(8-17)9-18-12/h7,9H,3-6H2,1-2H3	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	78	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]dihydrotestosterone from human androgen receptor expressed in Sf9 cells				Bioorg Med Chem Lett 17: 5693-7 (2007) Article DOI: 10.1016/j.bmcl.2007.07.059 BindingDB Entry DOI: 10.7270/Q2GH9HPQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353550 (CHEMBL1830771) Show SMILES CC1(C)CNC(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O2/c1-13(2)7-19-12(20)11(13)21-9-4-3-8(6-18)10(5-9)14(15,16)17/h3-5,11H,7H2,1-2H3,(H,19,20)	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	82	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353543 (CHEMBL1830954) Show SMILES CC1(C)CN(Cc2noc(n2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N4O3/c1-22(2)13-30(12-18-28-20(33-29-18)14-6-4-3-5-7-14)21(31)19(22)32-16-9-8-15(11-27)17(10-16)23(24,25)26/h3-10,19H,12-13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353537 (CHEMBL1830775) Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353537 (CHEMBL1830775) Show SMILES CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O Show InChI InChI=1S/C18H21F3N2O2/c1-4-5-8-23-11-17(2,3)15(16(23)24)25-13-7-6-12(10-22)14(9-13)18(19,20)21/h6-7,9,15H,4-5,8,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353551 (CHEMBL1830950) Show SMILES CCOC(=O)c1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1 Show InChI InChI=1S/C22H21F3N2O5/c1-4-30-20(29)17-8-7-15(31-17)11-27-12-21(2,3)18(19(27)28)32-14-6-5-13(10-26)16(9-14)22(23,24)25/h5-9,18H,4,11-12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human androgen receptor by cell based assay				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50353552 (CHEMBL1830938) Show SMILES COc1cccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)c1 Show InChI InChI=1S/C22H21F3N2O3/c1-21(2)13-27(12-14-5-4-6-16(9-14)29-3)20(28)19(21)30-17-8-7-15(11-26)18(10-17)22(23,24)25/h4-10,19H,12-13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319613 ((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...) Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/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	112	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50319613 ((R)-(+)-4-(1-(2-Fluorobenzyl)-4,4-dimethyl-2-oxopy...) Show SMILES CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F4N2O2/c1-20(2)12-27(11-14-5-3-4-6-17(14)22)19(28)18(20)29-15-8-7-13(10-26)16(9-15)21(23,24)25/h3-9,18H,11-12H2,1-2H3/t18-/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	112	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				Bioorg Med Chem Lett 21: 5230-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.048 BindingDB Entry DOI: 10.7270/Q21836WZ
					More data for this Ligand-Target Pair

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