BDBM50498073 CHEMBL3394157

SMILES: COc1cccc(c1)-c1cc(-c2ccc(NC(C)=O)cc2)c(C#N)c(=O)[nH]1

InChI Key: InChIKey=SLZNDCNKKFZQMN-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 = 50498073   

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
Thymidylate kinase (Mycobacterium tuberculosis)	BDBM50498073 (CHEMBL3394157) Show SMILES COc1cccc(c1)-c1cc(-c2ccc(NC(C)=O)cc2)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C21H17N3O3/c1-13(25)23-16-8-6-14(7-9-16)18-11-20(24-21(26)19(18)12-22)15-4-3-5-17(10-15)27-2/h3-11H,1-2H3,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis thymidylate kinase activity by pyruvate kinase-lactate dehydrogenase coupled assay				J Med Chem 58: 753-66 (2015) Article DOI: 10.1021/jm5012947 BindingDB Entry DOI: 10.7270/Q2JS9TD7
					More data for this Ligand-Target Pair