BDBM50498070 CHEMBL3394163

SMILES: OC(=O)c1ccc(cc1)-c1c2CCc3c(O)cccc3-c2[nH]c(=O)c1C#N

InChI Key: InChIKey=UYJHHIPEOCYAED-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 = 50498070   

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)	BDBM50498070 (CHEMBL3394163) Show SMILES OC(=O)c1ccc(cc1)-c1c2CCc3c(O)cccc3-c2[nH]c(=O)c1C#N Show InChI InChI=1S/C21H14N2O4/c22-10-16-18(11-4-6-12(7-5-11)21(26)27)15-9-8-13-14(2-1-3-17(13)24)19(15)23-20(16)25/h1-7,24H,8-9H2,(H,23,25)(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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