Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcriptional regulator ERG' and Ligand = 'BDBM50003336'   

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))	BDBM50003336 (CHEMBL3234565) Show SMILES CN1CCN(CC1)c1cc(nc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(cc1)C#N)C(F)(F)F |r| Show InChI InChI=1S/C25H30F3N7O/c1-33-11-13-34(14-12-33)22-15-21(25(26,27)28)31-24(32-22)35-10-2-3-20(17-35)23(36)30-9-8-18-4-6-19(16-29)7-5-18/h4-7,15,20H,2-3,8-14,17H2,1H3,(H,30,36)/t20-/m1/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	2.10E+3	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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