BDBM50498089 CHEMBL3394162

SMILES: OC(=O)c1ccc(cc1)-c1c2CCc3ccccc3-c2[nH]c(=O)c1C#N

InChI Key: InChIKey=CLJAYBXOEWGNQT-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 = 50498089   

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)	BDBM50498089 (CHEMBL3394162) Show SMILES OC(=O)c1ccc(cc1)-c1c2CCc3ccccc3-c2[nH]c(=O)c1C#N Show InChI InChI=1S/C21H14N2O3/c22-11-17-18(13-5-7-14(8-6-13)21(25)26)16-10-9-12-3-1-2-4-15(12)19(16)23-20(17)24/h1-8H,9-10H2,(H,23,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	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