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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50004384'   
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)
BDBM50004384
PNG
(2-{4-[(2-Amino-4-methoxy-quinolin-6-ylmethyl)-ethy...)
Show SMILES CCN(Cc1ccc2nc(N)cc(OC)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C25H28N4O6/c1-3-29(14-15-4-9-19-18(12-15)21(35-2)13-22(26)27-19)17-7-5-16(6-8-17)24(32)28-20(25(33)34)10-11-23(30)31/h4-9,12-13,20H,3,10-11,14H2,1-2H3,(H2,26,27)(H,28,32)(H,30,31)(H,33,34)/t20-/m0/s1
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Similars

Article
PubMed
n/an/a 1.90E+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