new BindingDB logo
myBDB logout

BDBM50223793 CHEMBL400409::N-(benzhydryl)-N-(5'-deoxy-alpha-D-thymidin-5'-yl)thiourea

SMILES: Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NC(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O

InChI Key: InChIKey=OEONQEKJLJOUNI-ZCNNSNEGSA-N

Data: 1 KI

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 = 50223793   
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)
BDBM50223793
PNG
(CHEMBL400409 | N-(benzhydryl)-N-(5'-deoxy-alpha-D-...)
Show SMILES Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NC(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C24H26N4O4S/c1-15-14-28(24(31)27-22(15)30)20-12-18(29)19(32-20)13-25-23(33)26-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18-21,29H,12-13H2,1H3,(H2,25,26,33)(H,27,30,31)/t18-,19+,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.90E+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