BDBM50498091 CHEMBL3394160

SMILES: COc1cccc(c1)-c1cc(c(C)c(=O)[nH]1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=UTDRAVLSXNAKDP-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 = 50498091   

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)	BDBM50498091 (CHEMBL3394160) Show SMILES COc1cccc(c1)-c1cc(c(C)c(=O)[nH]1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C20H17NO4/c1-12-17(13-6-8-14(9-7-13)20(23)24)11-18(21-19(12)22)15-4-3-5-16(10-15)25-2/h3-11H,1-2H3,(H,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+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