BDBM50443005 CHEMBL3088171

SMILES: COC(=O)c1cnc2ccc(cc2c1NCCCc1ccccc1)C#N

InChI Key: InChIKey=HNTMQZLOAQDFAA-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 = 50443005   

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
Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50443005 (CHEMBL3088171) Show SMILES COC(=O)c1cnc2ccc(cc2c1NCCCc1ccccc1)C#N Show InChI InChI=1S/C21H19N3O2/c1-26-21(25)18-14-24-19-10-9-16(13-22)12-17(19)20(18)23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14H,5,8,11H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca India Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in ...				J Med Chem 56: 8533-42 (2013) Article DOI: 10.1021/jm4012033 BindingDB Entry DOI: 10.7270/Q2SB4769
					More data for this Ligand-Target Pair