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BDBM50223813 CHEMBL236973::N-(3-trifluoromethyl-4-chlorophenyl)-N'-(3',5'-dideoxy-alpha-D-thymidin-5'-yl)thiourea

SMILES: Cc1cn([C@@H]2CC[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=WWBJNCJRIKLDSI-FZMZJTMJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50223813   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Thymidylate kinase


(Mycobacterium tuberculosis)		BDBM50223813
PNG
(CHEMBL236973 | N-(3-trifluoromethyl-4-chlorophenyl...)
Show SMILES Cc1cn([C@@H]2CC[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H18ClF3N4O3S/c1-9-8-26(17(28)25-15(9)27)14-5-3-11(29-14)7-23-16(30)24-10-2-4-13(19)12(6-10)18(20,21)22/h2,4,6,8,11,14H,3,5,7H2,1H3,(H2,23,24,30)(H,25,27,28)/t11-,14-/m0/s1
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 2.30E+3n/an/an/an/an/an/an/an/a



University of Gent

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay

J Med Chem 50: 5281-92 (2007)


Article DOI: 10.1021/jm0706158
BindingDB Entry DOI: 10.7270/Q2QJ7H1Z
More data for this
Ligand-Target Pair