Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM18675'   

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 (Rattus norvegicus (Rat))	BDBM18675 ((2S)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methy...) Show SMILES CC(O)(COc1ccc([N-]C#[S+])cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F3N3O5S/c1-17(26,9-29-13-5-2-11(3-6-13)22-10-30)16(25)23-12-4-7-15(24(27)28)14(8-12)18(19,20)21/h2-8,26H,9H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.60	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee Health Science Center					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				Bioorg Med Chem 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM18675 ((2S)-2-hydroxy-3-(4-isothiocyanatophenoxy)-2-methy...) Show SMILES CC(O)(COc1ccc([N-]C#[S+])cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C18H14F3N3O5S/c1-17(26,9-29-13-5-2-11(3-6-13)22-10-30)16(25)23-12-4-7-15(24(27)28)14(8-12)18(19,20)21/h2-8,26H,9H2,1H3,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.62	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	4
University of Tennessee at Memphis					Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...				J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB
					More data for this Ligand-Target Pair