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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, adipocyte' and Ligand = 'BDBM50319701'   
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, adipocyte


(Homo sapiens (Human))
BDBM50319701
PNG
(2-(2-(3,5-dichlorophenylamino)-2-oxoethylthio)acet...)
Show SMILES OC(=O)CSCC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C10H9Cl2NO3S/c11-6-1-7(12)3-8(2-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
1.66E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assay


Eur J Med Chem 154: 44-59 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.007
BindingDB Entry DOI: 10.7270/Q2BR8VWB
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50319701
PNG
(2-(2-(3,5-dichlorophenylamino)-2-oxoethylthio)acet...)
Show SMILES OC(=O)CSCC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C10H9Cl2NO3S/c11-6-1-7(12)3-8(2-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins relative to li...


Bioorg Med Chem Lett 20: 3675-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.095
BindingDB Entry DOI: 10.7270/Q2CV4HXG
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50319701
PNG
(2-(2-(3,5-dichlorophenylamino)-2-oxoethylthio)acet...)
Show SMILES OC(=O)CSCC(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C10H9Cl2NO3S/c11-6-1-7(12)3-8(2-6)13-9(14)4-17-5-10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 8-anilino-1-naphthalene-sulfonic acid from human His-FABP4 expressed in Escherichia coli BL21 (DE3) cells after 3 mins


Bioorg Med Chem Lett 20: 3675-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.095
BindingDB Entry DOI: 10.7270/Q2CV4HXG
More data for this
Ligand-Target Pair