Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50040411   

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))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	4.57	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50393821 (CHEMBL2159566) Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCC12 |t:13| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)12-7-9(5-6-10(12)8-19)14-11-3-1-2-4-13(11)21-20-14/h5-7,11,13H,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	27.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393813 (CHEMBL2159561) Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCCC12 |t:13| Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)13-8-10(6-7-11(13)9-20)15-12-4-2-1-3-5-14(12)22-21-15/h6-8,12,14H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393819 (CHEMBL2159568) Show SMILES FC(F)(F)c1c(cccc1C1=NOC2CCCCC12)C#N |t:11| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-9(8-19)4-3-6-11(13)14-10-5-1-2-7-12(10)21-20-14/h3-4,6,10,12H,1-2,5,7H2	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	64.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393819 (CHEMBL2159568) Show SMILES FC(F)(F)c1c(cccc1C1=NOC2CCCCC12)C#N |t:11| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-9(8-19)4-3-6-11(13)14-10-5-1-2-7-12(10)21-20-14/h3-4,6,10,12H,1-2,5,7H2	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	64.6	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393810 (CHEMBL2159540) Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCCC12 |t:14| Show InChI InChI=1S/C15H15F3N2O3/c16-15(17,18)11-8-9(6-7-12(11)20(21)22)14-10-4-2-1-3-5-13(10)23-19-14/h6-8,10,13H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18678 ((2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...) Show SMILES C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r| 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)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50393818 (CHEMBL2159569) Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCC12 |t:14| Show InChI InChI=1S/C14H13F3N2O3/c15-14(16,17)10-7-8(5-6-11(10)19(20)21)13-9-3-1-2-4-12(9)22-18-13/h5-7,9,12H,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	120	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393817 (CHEMBL2159570) Show SMILES [O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCC[C@H]23)c(c1)C(F)(F)F |r,t:7| Show InChI InChI=1S/C14H13F3N2O3/c15-14(16,17)11-7-8(19(20)21)5-6-9(11)13-10-3-1-2-4-12(10)22-18-13/h5-7,10,12H,1-4H2/t10-,12+/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	129	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393828 (CHEMBL2159730) Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NO[C@@H]2CCC[C@H]12 |r,t:13| Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-8(4-5-9(11)7-18)13-10-2-1-3-12(10)20-19-13/h4-6,10,12H,1-3H2/t10-,12+/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	224	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					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	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Homo sapiens (Human))	BDBM50393816 (CHEMBL2159571) Show SMILES [O-][N+](=O)c1ccc(C2=NO[C@H]3CCCC[C@@H]23)c(c1)C(F)(F)F |r,t:7| Show InChI InChI=1S/C14H13F3N2O3/c15-14(16,17)11-7-8(19(20)21)5-6-9(11)13-10-3-1-2-4-12(10)22-18-13/h5-7,10,12H,1-4H2/t10-,12+/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	263	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393824 (CHEMBL2159563) Show SMILES [O-][N+](=O)c1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:7| Show InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)10-6-7(18(19)20)4-5-8(10)12-9-2-1-3-11(9)21-17-12/h4-6,9,11H,1-3H2	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	269	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393805 (CHEMBL2159545) Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCCCC12 |t:13| Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)14-9-11(7-8-12(14)10-21)16-13-5-3-1-2-4-6-15(13)23-22-16/h7-9,13,15H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393825 (CHEMBL2159562) Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NO[C@@H]2CCC[C@H]12 |r,t:14| Show InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)9-6-7(4-5-10(9)18(19)20)12-8-2-1-3-11(8)21-17-12/h4-6,8,11H,1-3H2/t8-,11+/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	302	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393809 (CHEMBL2159541) Show SMILES [O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCCC[C@H]23)c(c1)C(F)(F)F |r,t:7| Show InChI InChI=1S/C15H15F3N2O3/c16-15(17,18)12-8-9(20(21)22)6-7-10(12)14-11-4-2-1-3-5-13(11)23-19-14/h6-8,11,13H,1-5H2/t11-,13+/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	309	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393808 (CHEMBL2159542) Show SMILES [O-][N+](=O)c1ccc(C2=NO[C@H]3CCCCC[C@@H]23)c(c1)C(F)(F)F |r,t:7| Show InChI InChI=1S/C15H15F3N2O3/c16-15(17,18)12-8-9(20(21)22)6-7-10(12)14-11-4-2-1-3-5-13(11)23-19-14/h6-8,11,13H,1-5H2/t11-,13+/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	389	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393827 (CHEMBL2159731) Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCC12)C#N |t:11| Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-8(7-18)4-5-9(11)13-10-2-1-3-12(10)20-19-13/h4-6,10,12H,1-3H2	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	447	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393829 (CHEMBL2159729) Show SMILES FC(F)(F)c1cc(ccc1C#N)C1=NO[C@H]2CCC[C@@H]12 |r,t:13| Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)11-6-8(4-5-9(11)7-18)13-10-2-1-3-12(10)20-19-13/h4-6,10,12H,1-3H2/t10-,12+/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	617	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393806 (CHEMBL2159544) Show SMILES Fc1ccc(C2=NOC3CCCCCC23)c(c1)C(F)(F)F |t:5| Show InChI InChI=1S/C15H15F4NO/c16-9-6-7-10(12(8-9)15(17,18)19)14-11-4-2-1-3-5-13(11)21-20-14/h6-8,11,13H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393806 (CHEMBL2159544) Show SMILES Fc1ccc(C2=NOC3CCCCCC23)c(c1)C(F)(F)F |t:5| Show InChI InChI=1S/C15H15F4NO/c16-9-6-7-10(12(8-9)15(17,18)19)14-11-4-2-1-3-5-13(11)21-20-14/h6-8,11,13H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	661	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393803 (CHEMBL2159547) Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:14| Show InChI InChI=1S/C16H17F3N2O3/c17-16(18,19)12-9-10(7-8-13(12)21(22)23)15-11-5-3-1-2-4-6-14(11)24-20-15/h7-9,11,14H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393802 (CHEMBL2159548) Show SMILES [O-][N+](=O)c1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:7| Show InChI InChI=1S/C16H17F3N2O3/c17-16(18,19)13-9-10(21(22)23)7-8-11(13)15-12-5-3-1-2-4-6-14(12)24-20-15/h7-9,12,14H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	741	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393802 (CHEMBL2159548) Show SMILES [O-][N+](=O)c1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:7| Show InChI InChI=1S/C16H17F3N2O3/c17-16(18,19)13-9-10(21(22)23)7-8-11(13)15-12-5-3-1-2-4-6-14(12)24-20-15/h7-9,12,14H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	776	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393814 (CHEMBL2159573) Show SMILES Fc1ccc(C2=NOC3CCCCC23)c(c1)C(F)(F)F |t:5| Show InChI InChI=1S/C14H13F4NO/c15-8-5-6-9(11(7-8)14(16,17)18)13-10-3-1-2-4-12(10)20-19-13/h5-7,10,12H,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	977	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393814 (CHEMBL2159573) Show SMILES Fc1ccc(C2=NOC3CCCCC23)c(c1)C(F)(F)F |t:5| Show InChI InChI=1S/C14H13F4NO/c15-8-5-6-9(11(7-8)14(16,17)18)13-10-3-1-2-4-12(10)20-19-13/h5-7,10,12H,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	977	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393811 (CHEMBL2159539) Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCCC12)C#N |t:11| Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)13-8-10(9-20)6-7-11(13)15-12-4-2-1-3-5-14(12)22-21-15/h6-8,12,14H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	999	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393811 (CHEMBL2159539) Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCCC12)C#N |t:11| Show InChI InChI=1S/C16H15F3N2O/c17-16(18,19)13-8-10(9-20)6-7-11(13)15-12-4-2-1-3-5-14(12)22-21-15/h6-8,12,14H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393815 (CHEMBL2159572) Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCC12 |t:12| Show InChI InChI=1S/C14H13F4NO/c15-11-6-5-8(7-10(11)14(16,17)18)13-9-3-1-2-4-12(9)20-19-13/h5-7,9,12H,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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393820 (CHEMBL2159567) Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCC12)C#N |t:11| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)12-7-9(8-19)5-6-10(12)14-11-3-1-2-4-13(11)21-20-14/h5-7,11,13H,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	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393820 (CHEMBL2159567) Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCC12)C#N |t:11| Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)12-7-9(8-19)5-6-10(12)14-11-3-1-2-4-13(11)21-20-14/h5-7,11,13H,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	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393823 (CHEMBL2159564) Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCC12 |t:12| Show InChI InChI=1S/C13H11F4NO/c14-10-5-4-7(6-9(10)13(15,16)17)12-8-2-1-3-11(8)19-18-12/h4-6,8,11H,1-3H2	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	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393822 (CHEMBL2159565) Show SMILES Fc1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:5| Show InChI InChI=1S/C13H11F4NO/c14-7-4-5-8(10(6-7)13(15,16)17)12-9-2-1-3-11(9)19-18-12/h4-6,9,11H,1-3H2	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	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393822 (CHEMBL2159565) Show SMILES Fc1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:5| Show InChI InChI=1S/C13H11F4NO/c14-7-4-5-8(10(6-7)13(15,16)17)12-9-2-1-3-11(9)19-18-12/h4-6,9,11H,1-3H2	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	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393804 (CHEMBL2159546) Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCCCC12)C#N |t:11| Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)14-9-11(10-21)7-8-12(14)16-13-5-3-1-2-4-6-15(13)23-22-16/h7-9,13,15H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393804 (CHEMBL2159546) Show SMILES FC(F)(F)c1cc(ccc1C1=NOC2CCCCCCC12)C#N |t:11| Show InChI InChI=1S/C17H17F3N2O/c18-17(19,20)14-9-11(10-21)7-8-12(14)16-13-5-3-1-2-4-6-15(13)23-22-16/h7-9,13,15H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393826 (CHEMBL2159732) Show SMILES [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NO[C@H]2CCC[C@@H]12 |r,t:14| Show InChI InChI=1S/C13H11F3N2O3/c14-13(15,16)9-6-7(4-5-10(9)18(19)20)12-8-2-1-3-11(8)21-17-12/h4-6,8,11H,1-3H2/t8-,11+/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	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393801 (CHEMBL2159549) Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:12| Show InChI InChI=1S/C16H17F4NO/c17-13-8-7-10(9-12(13)16(18,19)20)15-11-5-3-1-2-4-6-14(11)22-21-15/h7-9,11,14H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393801 (CHEMBL2159549) Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:12| Show InChI InChI=1S/C16H17F4NO/c17-13-8-7-10(9-12(13)16(18,19)20)15-11-5-3-1-2-4-6-14(11)22-21-15/h7-9,11,14H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393807 (CHEMBL2159543) Show SMILES Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCC12 |t:12| Show InChI InChI=1S/C15H15F4NO/c16-12-7-6-9(8-11(12)15(17,18)19)14-10-4-2-1-3-5-13(10)21-20-14/h6-8,10,13H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50393812 (CHEMBL2159550) Show SMILES Fc1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:5| Show InChI InChI=1S/C16H17F4NO/c17-10-7-8-11(13(9-10)16(18,19)20)15-12-5-3-1-2-4-6-14(12)22-21-15/h7-9,12,14H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Eastern Finland Curated by ChEMBL					Assay Description Displacement of [3H]R1881 from wild type human androgen receptor expressed in COS-1 cells co-transfected with pSG5 after 15 mins by scintillation ass...				J Med Chem 55: 6316-27 (2012) Article DOI: 10.1021/jm300233k BindingDB Entry DOI: 10.7270/Q2NS0W1N
					More data for this Ligand-Target Pair