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BDBM50004393 2-{4-[(4-Chloro-quinolin-6-ylmethyl)-ethyl-amino]-benzoylamino}-pentanedioic acid; compound with formic acid ; hydrate::CHEMBL93098

SMILES: CCN(Cc1ccc2nccc(Cl)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=LAHHZGCWMWTJOH-NRFANRHFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004393   
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)
BDBM50004393
PNG
(2-{4-[(4-Chloro-quinolin-6-ylmethyl)-ethyl-amino]-...)
Show SMILES CCN(Cc1ccc2nccc(Cl)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H24ClN3O5/c1-2-28(14-15-3-8-20-18(13-15)19(25)11-12-26-20)17-6-4-16(5-7-17)23(31)27-21(24(32)33)9-10-22(29)30/h3-8,11-13,21H,2,9-10,14H2,1H3,(H,27,31)(H,29,30)(H,32,33)/t21-/m0/s1
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Similars

Article
PubMed
n/an/a 1.13E+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