Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM245159'   

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))	BDBM245159 (US9428460, 15) Show SMILES Brc1cccc2c(O[C@H]3CC[C@@H](CC3)NC(=O)c3ccc(cc3)C#N)ccnc12 |r,wU:8.7,wD:11.14,(-6.67,-7.31,;-6.67,-5.78,;-8,-5,;-8,-3.47,;-6.67,-2.69,;-5.33,-3.47,;-4,-2.69,;-4,-1.15,;-2.67,-.38,;-2.67,1.15,;-1.33,1.93,;,1.15,;,-.38,;-1.33,-1.15,;1.33,1.93,;1.33,3.47,;,4.23,;2.67,4.23,;4,3.47,;5.33,4.23,;5.38,5.8,;4,6.54,;2.67,5.78,;6.72,6.57,;8.05,7.34,;-2.67,-3.47,;-2.67,-5,;-4,-5.78,;-5.33,-5,)| Show InChI InChI=1S/C23H20BrN3O2/c24-20-3-1-2-19-21(12-13-26-22(19)20)29-18-10-8-17(9-11-18)27-23(28)16-6-4-15(14-25)5-7-16/h1-7,12-13,17-18H,8-11H2,(H,27,28)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	261	n/a	n/a	n/a	n/a	n/a	37
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For determining the androgen receptor-dependent transcription, a cellular assay system was used, consisting of PC-3 cells (Kaighn et al., Invest. Uro...				US Patent US9428460 (2016) BindingDB Entry DOI: 10.7270/Q25719Z7
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