BDBM50201756 CHEMBL3980494

SMILES: COC(=O)c1cc2occc2n1CC(=O)c1ccc(Cl)cc1

InChI Key: InChIKey=QUHDHCRNZDLJLY-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50201756   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201756 (CHEMBL3980494) Show SMILES COC(=O)c1cc2occc2n1CC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClNO4/c1-21-16(20)13-8-15-12(6-7-22-15)18(13)9-14(19)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
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