Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM245175'   

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))	BDBM245175 (US9428460, 31) Show SMILES O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N)c1ccon1 |r,wU:7.10,wD:4.3,(4.15,6.16,;4.15,4.62,;2.82,3.85,;1.48,4.62,;.15,3.85,;-1.18,4.62,;-2.52,3.85,;-2.52,2.31,;-1.18,1.54,;.15,2.31,;-3.85,1.54,;-3.85,,;-2.52,-.77,;-2.52,-2.31,;-3.85,-3.08,;-5.19,-2.31,;-6.52,-3.08,;-7.85,-2.31,;-7.85,-.77,;-6.52,,;-5.19,-.77,;-6.52,-4.62,;-6.52,-6.16,;5.48,3.85,;6.95,4.33,;7.85,3.08,;6.95,1.83,;5.48,2.31,)| Show InChI InChI=1S/C21H20N4O3/c22-12-15-2-1-3-17-19(8-10-23-20(15)17)28-16-6-4-14(5-7-16)13-24-21(26)18-9-11-27-25-18/h1-3,8-11,14,16H,4-7,13H2,(H,24,26)/t14-,16-	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	720	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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