BDBM50201749 CHEMBL3927142

SMILES: O=C(CN1C(=O)C2(OCCO2)c2ccccc12)c1ccccc1

InChI Key: InChIKey=SLOMPYYQQPCHNF-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50201749   

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...)	BDBM50201749 (CHEMBL3927142) Show SMILES O=C(CN1C(=O)C2(OCCO2)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C18H15NO4/c20-16(13-6-2-1-3-7-13)12-19-15-9-5-4-8-14(15)18(17(19)21)22-10-11-23-18/h1-9H,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	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
					More data for this Ligand-Target Pair