BDBM50191274 CHEMBL3956359

SMILES: C\C(CCC(=O)Nc1ccc(F)cc1)=N/NC(=O)c1ccc(cc1)-n1cccc1

InChI Key: InChIKey=ZTTYZVHUDVYQSN-PCLIKHOPSA-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 = 50191274   

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...)	BDBM50191274 (CHEMBL3956359) Show SMILES C\C(CCC(=O)Nc1ccc(F)cc1)=N/NC(=O)c1ccc(cc1)-n1cccc1 Show InChI InChI=1S/C22H21FN4O2/c1-16(4-13-21(28)24-19-9-7-18(23)8-10-19)25-26-22(29)17-5-11-20(12-6-17)27-14-2-3-15-27/h2-3,5-12,14-15H,4,13H2,1H3,(H,24,28)(H,26,29)/b25-16+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
S.E.T's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of His6-tagged recombinant Mycobacterium tuberculosis InhA expressed in protease-deficient Escherichia coli (BL21) using trans-2-dodecenoy...				Eur J Med Chem 121: 21-39 (2016) BindingDB Entry DOI: 10.7270/Q2GF0WF1
					More data for this Ligand-Target Pair