BDBM50468371 CHEMBL4283424

SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1ccc(F)c(c1)C(O)=O

InChI Key InChIKey=JMNUWFAOQMRPRY-UHFFFAOYSA-N

Data  1 KI  3 IC50

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 4 hits for monomerid = 50468371   

TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50468371(CHEMBL4283424)
Affinity DataKi:  210nMAssay Description:Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50468371(CHEMBL4283424)
Affinity DataIC50:  1.69E+3nMAssay Description:Displacement of 1,8-ANS from human recombinant full length N-terminal his-tagged FABP4 expressed in Escherichia coli BL21 (DE3) incubated for 3 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50468371(CHEMBL4283424)
Affinity DataIC50:  1.69E+3nMAssay Description:Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50468371(CHEMBL4283424)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of FABP3 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed