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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50004389'   
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 synthase


(Mus musculus)
BDBM50004389
PNG
(2-{4-[(4-Cyano-2-methyl-quinolin-6-ylmethyl)-prop-...)
Show SMILES Cc1cc(C#N)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)ccc2n1
Show InChI InChI=1S/C27H24N4O5/c1-3-12-31(16-18-4-9-23-22(14-18)20(15-28)13-17(2)29-23)21-7-5-19(6-8-21)26(34)30-24(27(35)36)10-11-25(32)33/h1,4-9,13-14,24H,10-12,16H2,2H3,(H,30,34)(H,32,33)(H,35,36)/t24-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



ICI Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thymidylate synthase from L1210 mouse leukemia cells


J Med Chem 35: 2761-8 (1992)


Article DOI: 10.1021/jm00093a007
BindingDB Entry DOI: 10.7270/Q2K9385P
More data for this
Ligand-Target Pair