Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM245158'   

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))	BDBM245158 (US9428460, 14) Show SMILES Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.16,;6,5.39,;6,3.85,;4.67,3.08,;3.33,3.85,;3.33,5.39,;4.67,6.16,;4.67,7.7,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-6,-7.7,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)| Show InChI InChI=1S/C23H22BrFN2O2/c1-14-5-6-15(13-20(14)25)23(28)27-16-7-9-17(10-8-16)29-21-11-12-26-22-18(21)3-2-4-19(22)24/h2-6,11-13,16-17H,7-10H2,1H3,(H,27,28)/t16-,17-	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	68	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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