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PubMed code 21879757

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50354833
PNG
(AGF94 | CHEMBL1834488)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)8-9(21-15)2-1-3-10-4-6-13(31-10)17(28)22-12(18(29)30)5-7-14(25)26/h4,6,8,12H,1-3,5,7H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
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PC sid
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Similars

Article
PubMed
130n/an/an/an/an/an/a5.5n/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human PCFT-mediated [3H]MTX uptake expressed in chinese hamster R2 cells at pH 5.5 by dixon plot analysis


J Med Chem 54: 7150-64 (2011)


Article DOI: 10.1021/jm200739e
BindingDB Entry DOI: 10.7270/Q2G16174
More data for this
Ligand-Target Pair
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50354833
PNG
(AGF94 | CHEMBL1834488)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)8-9(21-15)2-1-3-10-4-6-13(31-10)17(28)22-12(18(29)30)5-7-14(25)26/h4,6,8,12H,1-3,5,7H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.82E+3n/an/an/an/an/an/a6.8n/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human PCFT-mediated [3H]MTX uptake expressed in chinese hamster R2 cells at pH 6.8 by dixon plot analysis


J Med Chem 54: 7150-64 (2011)


Article DOI: 10.1021/jm200739e
BindingDB Entry DOI: 10.7270/Q2G16174
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%