Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcriptional regulator ERG' and Ligand = 'BDBM50003291'   

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
Transcriptional regulator ERG (Homo sapiens (Human))	BDBM50003291 (CHEMBL3234579) Show SMILES CCN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CC[C@H]1C(=O)NCCc1ccc(nc1)C#N |r| Show InChI InChI=1S/C23H27F3N8O/c1-2-32-9-11-33(12-10-32)19-13-20(31-22(30-19)23(24,25)26)34-8-6-18(34)21(35)28-7-5-16-3-4-17(14-27)29-15-16/h3-4,13,15,18H,2,5-12H2,1H3,(H,28,35)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp method				J Med Chem 57: 3263-82 (2014) Article DOI: 10.1021/jm401731q BindingDB Entry DOI: 10.7270/Q2H41SZ3
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