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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50031314   
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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50310988
PNG
(4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]am...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1cccs1
Show InChI InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+
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Article
PubMed
670n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of radiolabeled 1-anilinonapthalene 8-sulfonic acid from AFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometr...


J Med Chem 52: 6024-31 (2009)


Article DOI: 10.1021/jm900720m
BindingDB Entry DOI: 10.7270/Q2MK6D1R
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50310988
PNG
(4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]am...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1cccs1
Show InChI InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+
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3.40E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of radiolabeled 1-anilinonapthalene 8-sulfonic acid from EFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometr...


J Med Chem 52: 6024-31 (2009)


Article DOI: 10.1021/jm900720m
BindingDB Entry DOI: 10.7270/Q2MK6D1R
More data for this
Ligand-Target Pair
Intestinal fatty acid-binding protein (hIFABP)


(Homo sapiens (Human))
BDBM50310988
PNG
(4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]am...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1cccs1
Show InChI InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+
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6.57E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of radiolabeled 1-anilinonapthalene 8-sulfonic acid from IFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometr...


J Med Chem 52: 6024-31 (2009)


Article DOI: 10.1021/jm900720m
BindingDB Entry DOI: 10.7270/Q2MK6D1R
More data for this
Ligand-Target Pair
Liver fatty acid binding protein (human L-FABP T94T)


(Homo sapiens (Human))
BDBM50310988
PNG
(4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]am...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1cccs1
Show InChI InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+
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PubMed
8.17E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of radiolabeled 1-anilinonapthalene 8-sulfonic acid from LFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometr...


J Med Chem 52: 6024-31 (2009)


Article DOI: 10.1021/jm900720m
BindingDB Entry DOI: 10.7270/Q2MK6D1R
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50310988
PNG
(4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]am...)
Show SMILES COC(=O)c1sc(cc1NC(=O)\C=C\C(O)=O)-c1cccs1
Show InChI InChI=1S/C14H11NO5S2/c1-20-14(19)13-8(15-11(16)4-5-12(17)18)7-10(22-13)9-3-2-6-21-9/h2-7H,1H3,(H,15,16)(H,17,18)/b5-4+
PDB
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KEGG

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Article
PubMed
9.07E+3n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of radiolabeled 1-anilinonapthalene 8-sulfonic acid from HFABP expressed in Escherichia coli BL21 (DE3) by fluorescence spectrophotometr...


J Med Chem 52: 6024-31 (2009)


Article DOI: 10.1021/jm900720m
BindingDB Entry DOI: 10.7270/Q2MK6D1R
More data for this
Ligand-Target Pair