Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RmtA' and Ligand = 'BDBM50143424'   

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)	BDBM50143424 (2-(3-hydroxy-6-oxo-6H-xanthen-9-yl)benzoic acid | ...) Show SMILES OC(=O)c1ccccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(-6.39,-28.75,;-5.64,-30.09,;-6.42,-31.42,;-4.1,-30.1,;-4.09,-28.56,;-2.74,-27.79,;-1.41,-28.57,;-1.42,-30.11,;-2.76,-30.87,;-2.77,-32.41,;-1.43,-33.19,;-.1,-32.42,;1.23,-33.2,;1.22,-34.74,;2.54,-35.52,;-.12,-35.5,;-1.44,-34.73,;-2.78,-35.49,;-4.11,-34.72,;-5.43,-35.48,;-6.76,-34.72,;-8.09,-35.49,;-6.76,-33.18,;-5.43,-32.4,;-4.1,-33.18,)| Show InChI InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.23E+5	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 recombinant GST-RmtA expressed in BL21 cells				J Med Chem 50: 1241-53 (2007) Article DOI: 10.1021/jm061213n BindingDB Entry DOI: 10.7270/Q29887TV
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