Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50069065'   

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))	BDBM50069065 ((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...) Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity against Androgen receptor transfected into COS cells				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50069065 ((2R,3R)-2,3-Dimethyl-5-trifluoromethyl-1,2,3,8-tet...) Show SMILES C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F Show InChI InChI=1S/C14H13F3N2O/c1-6-7(2)18-11-5-12-9(3-8(6)11)10(14(15,16)17)4-13(20)19-12/h3-7,18H,1-2H3,(H,19,20)/t6-,7+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell				Bioorg Med Chem Lett 8: 745-50 (1999) BindingDB Entry DOI: 10.7270/Q2XS5THG
					More data for this Ligand-Target Pair