Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcriptional regulator ERG' and Ligand = 'BDBM50003563'   

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))	BDBM50003563 (CHEMBL3234573) Show SMILES CCN1CCN(CC1)c1cc(nc(n1)C(F)(F)F)N1CCC[C@H](C1)C(=O)NCCc1cnc(nc1)C#N |r| Show InChI InChI=1S/C24H30F3N9O/c1-2-34-8-10-35(11-9-34)20-12-21(33-23(32-20)24(25,26)27)36-7-3-4-18(16-36)22(37)29-6-5-17-14-30-19(13-28)31-15-17/h12,14-15,18H,2-11,16H2,1H3,(H,29,37)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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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