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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Folate transporter 1' and Ligand = 'BDBM50027657'   
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
Folate transporter 1


(Homo sapiens (Human))
BDBM50027657
PNG
(CHEMBL3335607)
Show SMILES CCC[C@H](NC(=O)c1ccc(CCCc2cc3c(nc(N)[nH]c3=O)[nH]2)s1)C(O)=O |r|
Show InChI InChI=1/C19H23N5O4S/c1-2-4-13(18(27)28)22-17(26)14-8-7-11(29-14)6-3-5-10-9-12-15(21-10)23-19(20)24-16(12)25/h7-9,13H,2-6H2,1H3,(H,22,26)(H,27,28)(H4,20,21,23,24,25)/t13-/s2
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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 RFC (unknown origin) expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-...


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