BDBM50498095 CHEMBL3394152

SMILES: COc1cccc(c1)-c1cc(-c2cccc(c2)C(O)=O)c(C#N)c(=O)[nH]1

InChI Key: InChIKey=PKCVQFDJYMDABD-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 = 50498095   

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)	BDBM50498095 (CHEMBL3394152) Show SMILES COc1cccc(c1)-c1cc(-c2cccc(c2)C(O)=O)c(C#N)c(=O)[nH]1 Show InChI InChI=1S/C20H14N2O4/c1-26-15-7-3-5-13(9-15)18-10-16(17(11-21)19(23)22-18)12-4-2-6-14(8-12)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.73E+3	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