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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, adipocyte' and Ligand = 'BDBM35919'   
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))
BDBM35919
PNG
(flufenamic acid analogue, 45)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
109n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM35919
PNG
(flufenamic acid analogue, 45)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H15NO2/c21-19(22)16-11-5-7-13-18(16)20-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13,20H,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 111n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetry


J Med Chem 63: 4090-4106 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02107
BindingDB Entry DOI: 10.7270/Q2805648
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)