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Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidylate synthase' and Ligand = 'BDBM50368121'   
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)		BDBM50368121
PNG
(CHEMBL293442)
Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(OC(F)(F)F)cc3)cc2c(=O)[nH]1
Show InChI InChI=1S/C19H15F3N4O2/c1-2-9-26(13-4-6-14(7-5-13)28-19(20,21)22)11-12-3-8-16-15(10-12)17(27)25-18(23)24-16/h1,3-8,10H,9,11H2,(H3,23,24,25,27)
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MMDB

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n/an/a 1.13E+4n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
The compound was not tested for inhibition of L1210 Thymidylate synthase due to insolubility

J Med Chem 33: 2045-51 (1990)


BindingDB Entry DOI: 10.7270/Q26Q1XVG
More data for this
Ligand-Target Pair