Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RmtA' and Ligand = 'BDBM50376166'   

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
RmtA (Emericella nidulans)	BDBM50376166 (CHEMBL259324) Show SMILES Oc1c(Br)cc(\C=C2/COC\C(=C/c3cc(Br)c(O)c(Br)c3)C2=O)cc1Br Show InChI InChI=1S/C19H12Br4O4/c20-13-3-9(4-14(21)18(13)25)1-11-7-27-8-12(17(11)24)2-10-5-15(22)19(26)16(23)6-10/h1-6,25-26H,7-8H2/b11-1+,12-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL					Assay Description Inhibition of Aspergillus nidulans RmtA				J Med Chem 51: 2279-90 (2008) Article DOI: 10.1021/jm701595q BindingDB Entry DOI: 10.7270/Q28C9X48
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