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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 = 'BDBM50027658'   
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))
BDBM50027658
PNG
(CHEMBL3335606)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)NCCCC(O)=O)cc2c(=O)[nH]1
Show InChI InChI=1S/C18H21N5O4S/c19-18-22-15-12(16(26)23-18)9-10(21-15)3-1-4-11-6-7-13(28-11)17(27)20-8-2-5-14(24)25/h6-7,9H,1-5,8H2,(H,20,27)(H,24,25)(H4,19,21,22,23,26)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PCFT (unknown origin) expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltite...


J Med Chem 57: 8152-66 (2014)


Article DOI: 10.1021/jm501113m
BindingDB Entry DOI: 10.7270/Q2F47QQS
More data for this
Ligand-Target Pair