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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Proton-coupled folate transporter' and Ligand = 'BDBM50072401'   
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
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50072401
PNG
(CHEMBL3409334)
Show SMILES Nc1nc2[nH]cc(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-14(17(28)24-19)9(8-21-15)2-1-3-10-4-6-12(31-10)16(27)22-11(18(29)30)5-7-13(25)26/h4,6,8,11H,1-3,5,7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t11-/m0/s1
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Similars

Article
PubMed
n/an/a 312n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair