Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Transcriptional regulator ERG' and Ligand = 'BDBM50003562'   

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))	BDBM50003562 (CHEMBL3234572) Show SMILES FC(F)(F)c1nc(cc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(nc1)C#N)N1CCNCC1 |r| Show InChI InChI=1S/C23H27F3N8O/c24-23(25,26)22-31-19(33-10-7-28-8-11-33)12-20(32-22)34-9-1-2-17(15-34)21(35)29-6-5-16-3-4-18(13-27)30-14-16/h3-4,12,14,17,28H,1-2,5-11,15H2,(H,29,35)/t17-/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	2.00E+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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