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BDBM50006688 2-{2,3-Difluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid ;hydrate(0.75H2O)::CHEMBL77314

SMILES: CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1F

InChI Key: InChIKey=RQAICJOIQDIWAH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006688   
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 synthase


(Mus musculus)
BDBM50006688
PNG
(2-{2,3-Difluoro-4-[methyl-(2-methyl-4-oxo-3,4-dihy...)
Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c1F
Show InChI InChI=1S/C23H22F2N4O6/c1-11-26-15-5-3-12(9-14(15)22(33)27-11)10-29(2)17-7-4-13(19(24)20(17)25)21(32)28-16(23(34)35)6-8-18(30)31/h3-5,7,9,16H,6,8,10H2,1-2H3,(H,28,32)(H,30,31)(H,34,35)(H,26,27,33)
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Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of thymidylate synthase from L1210 cells


J Med Chem 35: 2321-7 (1992)


Article DOI: 10.1021/jm00090a024
BindingDB Entry DOI: 10.7270/Q2XW4HRJ
More data for this
Ligand-Target Pair