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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate kinase' and Ligand = 'BDBM50498090'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Thymidylate kinase


(Mycobacterium tuberculosis)		BDBM50498090
PNG
(CHEMBL3394161)
Show SMILES CC(C)c1ccc(COc2cccc(c2)-c2cc(-c3ccc(cc3)C(O)=O)c(C#N)c(=O)[nH]2)cc1
Show InChI InChI=1S/C29H24N2O4/c1-18(2)20-8-6-19(7-9-20)17-35-24-5-3-4-23(14-24)27-15-25(26(16-30)28(32)31-27)21-10-12-22(13-11-21)29(33)34/h3-15,18H,17H2,1-2H3,(H,31,32)(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/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