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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reduced folate transporter' and Ligand = 'BDBM50457431'   
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
Reduced folate transporter


(Homo sapiens (Human))		BDBM50457431
PNG
(CHEMBL4218109)
Show SMILES Nc1nc2[nH]c(CCC#Cc3ccc(cn3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H20N6O6/c22-21-26-17-14(19(31)27-21)9-13(24-17)4-2-1-3-12-6-5-11(10-23-12)18(30)25-15(20(32)33)7-8-16(28)29/h5-6,9-10,15H,2,4,7-8H2,(H,25,30)(H,28,29)(H,32,33)(H4,22,24,26,27,31)/t15-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viabili...

J Med Chem 61: 2027-2040 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01708
BindingDB Entry DOI: 10.7270/Q2ST7SF1
More data for this
Ligand-Target Pair