Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 2249   

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))	BDBM18605 (6-[bis(2,2,2-trifluoroethyl)amino]-4-(difluorometh...) Show SMILES FC(F)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F Show InChI InChI=1S/C14H10F8N2O/c15-12(16)9-4-11(25)23-10-2-1-7(3-8(9)10)24(5-13(17,18)19)6-14(20,21)22/h1-4,12H,5-6H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18578 (6-[bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl...) Show SMILES FC(F)CN(CC(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H11F7N2O/c15-11(16)5-23(6-12(17)18)7-1-2-10-8(3-7)9(14(19,20)21)4-13(24)22-10/h1-4,11-12H,5-6H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.5	-55.2	n/a	n/a	0.400	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18606 (6-[bis(2,2,2-trifluoroethyl)amino]-4-chloro-1,2-di...) Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Cl)c2c1 Show InChI InChI=1S/C13H9ClF6N2O/c14-9-4-11(23)21-10-2-1-7(3-8(9)10)22(5-12(15,16)17)6-13(18,19)20/h1-4H,5-6H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	0.890	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18607 (6-[bis(2,2,2-trifluoroethyl)amino]-4-bromo-1,2-dih...) Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Br)c2c1 Show InChI InChI=1S/C13H9BrF6N2O/c14-9-4-11(23)21-10-2-1-7(3-8(9)10)22(5-12(15,16)17)6-13(18,19)20/h1-4H,5-6H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18601 (6-[bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-di...) Show SMILES Cc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F Show InChI InChI=1S/C14H12F6N2O/c1-8-4-12(23)21-11-3-2-9(5-10(8)11)22(6-13(15,16)17)7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18588 (6-[(2,2-difluoroethyl)(2,2,2-trifluoroethyl)amino]...) Show SMILES FC(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H10F8N2O/c15-11(16)5-24(6-13(17,18)19)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	-52.1	n/a	n/a	0.200	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18579 (6-[(2-chloro-2,2-difluoroethyl)(2,2-difluoroethyl)...) Show SMILES FC(F)CN(CC(F)(F)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H10ClF7N2O/c15-13(18,19)6-24(5-11(16)17)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	-51.3	n/a	n/a	0.400	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18589 (6-[(2-chloroethyl)(2,2,2-trifluoroethyl)amino]-4-(...) Show SMILES FC(F)(F)CN(CCCl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H11ClF6N2O/c15-3-4-23(7-13(16,17)18)8-1-2-11-9(5-8)10(14(19,20)21)6-12(24)22-11/h1-2,5-6H,3-4,7H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	-51.0	n/a	n/a	0.5	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18584 (6-[propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trif...) Show SMILES CC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C15H14F6N2O/c1-8(2)23(7-14(16,17)18)9-3-4-12-10(5-9)11(15(19,20)21)6-13(24)22-12/h3-6,8H,7H2,1-2H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	-50.7	n/a	n/a	0.900	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18599 (6-[ethyl(3-oxobutan-2-yl)amino]-4-(trifluoromethyl...) Show SMILES CCN(C(C)C(C)=O)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C16H17F3N2O2/c1-4-21(9(2)10(3)22)11-5-6-14-12(7-11)13(16(17,18)19)8-15(23)20-14/h5-9H,4H2,1-3H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18612 (6-bisalkylamino-2-quinolinone, 8c | 6-{[(2R)-1-chl...) Show SMILES C[C@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C15H13ClF6N2O/c1-8(6-16)24(7-14(17,18)19)9-2-3-12-10(4-9)11(15(20,21)22)5-13(25)23-12/h2-5,8H,6-7H2,1H3,(H,23,25)/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18602 (6-[bis(2,2,2-trifluoroethyl)amino]-4-ethyl-1,2-dih...) Show SMILES CCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F Show InChI InChI=1S/C15H14F6N2O/c1-2-9-5-13(24)22-12-4-3-10(6-11(9)12)23(7-14(16,17)18)8-15(19,20)21/h3-6H,2,7-8H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.40	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18590 (6-[(2,2-dichloroethyl)(2,2,2-trifluoroethyl)amino]...) Show SMILES FC(F)(F)CN(CC(Cl)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H10Cl2F6N2O/c15-11(16)5-24(6-13(17,18)19)7-1-2-10-8(3-7)9(14(20,21)22)4-12(25)23-10/h1-4,11H,5-6H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-48.8	n/a	n/a	1.60	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18593 (6-[(2-hydroxyethyl)(2,2,2-trifluoroethyl)amino]-4-...) Show SMILES OCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H12F6N2O2/c15-13(16,17)7-22(3-4-23)8-1-2-11-9(5-8)10(14(18,19)20)6-12(24)21-11/h1-2,5-6,23H,3-4,7H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.60	-48.6	n/a	n/a	7.90	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18580 (6-[methyl(2,2,2-trifluoroethyl)amino]-4-(trifluoro...) Show SMILES CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C13H10F6N2O/c1-21(6-12(14,15)16)7-2-3-10-8(4-7)9(13(17,18)19)5-11(22)20-10/h2-5H,6H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9	-47.8	n/a	n/a	9.80	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18610 (6-[(2,2,2-trifluoroethyl)[(2R)-1,1,1-trifluoroprop...) Show SMILES C[C@@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C15H11F9N2O/c1-7(14(19,20)21)26(6-13(16,17)18)8-2-3-11-9(4-8)10(15(22,23)24)5-12(27)25-11/h2-5,7H,6H2,1H3,(H,25,27)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.20	n/a	n/a	n/a	2.30	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18613 (6-bisalkylamino-2-quinolinone, 8d | 6-{[(2S)-1-chl...) Show SMILES C[C@@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r| Show InChI InChI=1S/C15H13ClF6N2O/c1-8(6-16)24(7-14(17,18)19)9-2-3-12-10(4-9)11(15(20,21)22)5-13(25)23-12/h2-5,8H,6-7H2,1H3,(H,23,25)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18614 (4-methyl-6-[(2-methylpropyl)(2,2,2-trifluoroethyl)...) Show SMILES CC(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C)c2c1 Show InChI InChI=1S/C16H19F3N2O/c1-10(2)8-21(9-16(17,18)19)12-4-5-14-13(7-12)11(3)6-15(22)20-14/h4-7,10H,8-9H2,1-3H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18582 (6-[propyl(2,2,2-trifluoroethyl)amino]-4-(trifluoro...) Show SMILES CCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C15H14F6N2O/c1-2-5-23(8-14(16,17)18)9-3-4-12-10(6-9)11(15(19,20)21)7-13(24)22-12/h3-4,6-7H,2,5,8H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-47.0	n/a	n/a	1.30	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18585 (6-[(2,2-dimethylpropyl)(2,2,2-trifluoroethyl)amino...) Show SMILES CC(C)(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C17H18F6N2O/c1-15(2,3)8-25(9-16(18,19)20)10-4-5-13-11(6-10)12(17(21,22)23)7-14(26)24-13/h4-7H,8-9H2,1-3H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	-47.0	n/a	n/a	1.80	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18598 (6-[ethyl(furan-3-ylmethyl)amino]-4-(trifluoromethy...) Show SMILES CCN(Cc1ccoc1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C17H15F3N2O2/c1-2-22(9-11-5-6-24-10-11)12-3-4-15-13(7-12)14(17(18,19)20)8-16(23)21-15/h3-8,10H,2,9H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18596 (6-bisalkylamino-2-quinolinone, 6u | ethyl 2-{[2-ox...) Show SMILES CCOC(=O)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C16H14F6N2O3/c1-2-27-14(26)7-24(8-15(17,18)19)9-3-4-12-10(5-9)11(16(20,21)22)6-13(25)23-12/h3-6H,2,7-8H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	19	n/a	20	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18604 (6-[bis(2,2,2-trifluoroethyl)amino]-4-(propan-2-yl)...) Show SMILES CC(C)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F Show InChI InChI=1S/C16H16F6N2O/c1-9(2)11-6-14(25)23-13-4-3-10(5-12(11)13)24(7-15(17,18)19)8-16(20,21)22/h3-6,9H,7-8H2,1-2H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	2	n/a	9.10	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18608 (6-[bis(2,2,2-trifluoroethyl)amino]-4-methoxy-1,2-d...) Show SMILES COc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F Show InChI InChI=1S/C14H12F6N2O2/c1-24-11-5-12(23)21-10-3-2-8(4-9(10)11)22(6-13(15,16)17)7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	15	n/a	35	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18600 (6-[bis(2,2,2-trifluoroethyl)amino]-1,2-dihydroquin...) Show SMILES FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)ccc2c1 Show InChI InChI=1S/C13H10F6N2O/c14-12(15,16)6-21(7-13(17,18)19)9-2-3-10-8(5-9)1-4-11(22)20-10/h1-5H,6-7H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	1	n/a	57	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18587 (6-[butan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifl...) Show SMILES CCC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C16H16F6N2O/c1-3-9(2)24(8-15(17,18)19)10-4-5-13-11(6-10)12(16(20,21)22)7-14(25)23-13/h4-7,9H,3,8H2,1-2H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	29	-44.8	n/a	n/a	5.90	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18592 (6-[(2,2,3,3,3-pentafluoropropyl)(2,2,2-trifluoroet...) Show SMILES FC(F)(F)CN(CC(F)(F)C(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C15H9F11N2O/c16-12(17,15(24,25)26)5-28(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(29)27-10/h1-4H,5-6H2,(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	-44.6	n/a	n/a	2.30	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18583 (6-[butyl(2,2,2-trifluoroethyl)amino]-4-(trifluorom...) Show SMILES CCCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C16H16F6N2O/c1-2-3-6-24(9-15(17,18)19)10-4-5-13-11(7-10)12(16(20,21)22)8-14(25)23-13/h4-5,7-8H,2-3,6,9H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	-44.4	n/a	n/a	6.80	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18603 (6-[bis(2,2,2-trifluoroethyl)amino]-4-propyl-1,2-di...) Show SMILES CCCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F Show InChI InChI=1S/C16H16F6N2O/c1-2-3-10-6-14(25)23-13-5-4-11(7-12(10)13)24(8-15(17,18)19)9-16(20,21)22/h4-7H,2-3,8-9H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18595 (6-[(thiophen-2-ylmethyl)(2,2,2-trifluoroethyl)amin...) Show SMILES FC(F)(F)CN(Cc1cccs1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C17H12F6N2OS/c18-16(19,20)9-25(8-11-2-1-5-27-11)10-3-4-14-12(6-10)13(17(21,22)23)7-15(26)24-14/h1-7H,8-9H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	61	-42.8	n/a	n/a	12	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18594 (6-[benzyl(2,2,2-trifluoroethyl)amino]-4-(trifluoro...) Show SMILES FC(F)(F)CN(Cc1ccccc1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C19H14F6N2O/c20-18(21,22)11-27(10-12-4-2-1-3-5-12)13-6-7-16-14(8-13)15(19(23,24)25)9-17(28)26-16/h1-9H,10-11H2,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	79	-42.2	n/a	n/a	27	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18611 (6-[(2,2,2-trifluoroethyl)[(2S)-1,1,1-trifluoroprop...) Show SMILES C[C@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C15H11F9N2O/c1-7(14(19,20)21)26(6-13(16,17)18)8-2-3-11-9(4-8)10(15(22,23)24)5-12(27)25-11/h2-5,7H,6H2,1H3,(H,25,27)/t7-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	112	n/a	20	n/a	50	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18591 (6-[(2,2,2-trifluoroethyl)(3,3,3-trifluoropropyl)am...) Show SMILES FC(F)(F)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C15H11F9N2O/c16-13(17,18)3-4-26(7-14(19,20)21)8-1-2-11-9(5-8)10(15(22,23)24)6-12(27)25-11/h1-2,5-6H,3-4,7H2,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	116	-41.2	n/a	n/a	46	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18586 (6-[(3,3-dimethylbutyl)(2,2,2-trifluoroethyl)amino]...) Show SMILES CC(C)(C)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C18H20F6N2O/c1-16(2,3)6-7-26(10-17(19,20)21)11-4-5-14-12(8-11)13(18(22,23)24)9-15(27)25-14/h4-5,8-9H,6-7,10H2,1-3H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	243	-39.3	n/a	n/a	81	n/a	n/a	7.4	37
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18597 (2,2,2-trifluoro-N-[2-oxo-4-(trifluoromethyl)-1,2-d...) Show SMILES FC(F)(F)CN(C(=O)C(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F Show InChI InChI=1S/C14H7F9N2O2/c15-12(16,17)5-25(11(27)14(21,22)23)6-1-2-9-7(3-6)8(13(18,19)20)4-10(26)24-9/h1-4H,5H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	4.10	n/a	22	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM18609 (6-[bis(2,2,2-trifluoroethyl)amino]-4-hydroxy-1,2-d...) Show SMILES Oc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F Show InChI InChI=1S/C13H10F6N2O2/c14-12(15,16)5-21(6-13(17,18)19)7-1-2-9-8(3-7)10(22)4-11(23)20-9/h1-4H,5-6H2,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	7	n/a	83	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc.					Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece...				Bioorg Med Chem Lett 17: 1527-31 (2007) Article DOI: 10.1016/j.bmcl.2007.01.001 BindingDB Entry DOI: 10.7270/Q2XS5SP9
					More data for this Ligand-Target Pair