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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 = 'BDBM50534426'   
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))		BDBM50534426
PNG
(CHEMBL4553188)
Show SMILES Nc1nc2[nH]c(CCN(C(=O)C(F)(F)F)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C22H21F3N6O7/c23-22(24,25)20(38)31(8-7-11-9-13-16(27-11)29-21(26)30-18(13)35)12-3-1-10(2-4-12)17(34)28-14(19(36)37)5-6-15(32)33/h1-4,9,14H,5-8H2,(H,28,34)(H,32,33)(H,36,37)(H4,26,27,29,30,35)/t14-/m0/s1
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n/an/a 783n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human RFC expressed in Chinese hamster PC43-10 cells assessed as antiproliferative activity measured as reduction in cell viability aft...

J Med Chem 59: 7856-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00594
BindingDB Entry DOI: 10.7270/Q2NG4V5F
More data for this
Ligand-Target Pair