BDBM50538231 CHEMBL4644810

SMILES CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)-c1ccccc1

InChI Key InChIKey=RZIPOOPDWJBCHO-UHFFFAOYSA-N

Data  2 KI  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50538231   

TargetFatty acid-binding protein, heart(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50538231(CHEMBL4644810)
Affinity DataKi:  1.43E+4nMAssay Description:Displacement of 1,8-ANS from recombinant human 6His-tagged FABP3 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein 5(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50538231(CHEMBL4644810)
Affinity DataKi:  1.78E+4nMAssay Description:Displacement of 1,8-ANS from recombinant human 6His-tagged FABP5 expressed in Escherichia coli BL21 DE3 incubated for 15 mins followed by 1,8-ANS add...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein, adipocyte(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50538231(CHEMBL4644810)
Affinity DataKd:  60nMAssay Description:Binding affinity at recombinant human 6His-tagged FABP4 expressed in Escherichia coli BL21 DE3 by isothermal titration calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB