BDBM50498057 CHEMBL3394235

SMILES: CCNC(=O)Nc1ccc(cc1)-c1c2CCc3c(OC)cccc3-c2[nH]c(=O)c1C#N

InChI Key: InChIKey=JPYZWLMQPAKZJQ-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 = 50498057   

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)	BDBM50498057 (CHEMBL3394235) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1c2CCc3c(OC)cccc3-c2[nH]c(=O)c1C#N Show InChI InChI=1S/C24H22N4O3/c1-3-26-24(30)27-15-9-7-14(8-10-15)21-18-12-11-16-17(5-4-6-20(16)31-2)22(18)28-23(29)19(21)13-25/h4-10H,3,11-12H2,1-2H3,(H,28,29)(H2,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	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