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BDBM50081257 (S)-5-Benzoylsulfamoyl-2-{4-[(2,7-dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-pentanoic acid::CHEMBL341262

SMILES: Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCCS(=O)(=O)NC(=O)c4ccccc4)C(O)=O)c(F)c3)cc2c(=O)[nH]1

InChI Key: InChIKey=KAELIYIACHZOOI-NDEPHWFRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081257   
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)
BDBM50081257
PNG
((S)-5-Benzoylsulfamoyl-2-{4-[(2,7-dimethyl-4-oxo-3...)
Show SMILES Cc1nc2cc(C)c(CN(CC#C)c3ccc(C(=O)N[C@@H](CCCS(=O)(=O)NC(=O)c4ccccc4)C(O)=O)c(F)c3)cc2c(=O)[nH]1
Show InChI InChI=1S/C33H32FN5O7S/c1-4-14-39(19-23-17-26-29(16-20(23)2)35-21(3)36-32(26)42)24-12-13-25(27(34)18-24)31(41)37-28(33(43)44)11-8-15-47(45,46)38-30(40)22-9-6-5-7-10-22/h1,5-7,9-10,12-13,16-18,28H,8,11,14-15,19H2,2-3H3,(H,37,41)(H,38,40)(H,43,44)(H,35,36,42)/t28-/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of isolated thymidylate synthase partially purified from L1210 mouse leukemia cells


J Med Chem 42: 3809-20 (1999)


Article DOI: 10.1021/jm9803727
BindingDB Entry DOI: 10.7270/Q25M64XD
More data for this
Ligand-Target Pair