BDBM50525617 CHEMBL4560388

SMILES Cc1c(Cl)cccc1OCc1cc(=O)n2nc(nc2[nH]1)-c1ccccc1

InChI Key InChIKey=DHVPJCVPOZYDTH-UHFFFAOYSA-N

Data  5 IC50  2 Kd

PDB links: 2 PDB IDs match 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 7 hits for monomerid = 50525617   

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

Curated by ChEMBL
LigandPNGBDBM50525617(CHEMBL4560388)
Affinity DataIC50:  6.34E+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 5(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50525617(CHEMBL4560388)
Affinity DataIC50:  2.34E+4nMAssay Description:Displacement of 1,8-ANS from human recombinant full length N-terminal his-tagged FABP5 expressed in Escherichia coli BL21 (DE3) incubated for 3 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50525617(CHEMBL4560388)
Affinity DataIC50:  1.95E+3nMAssay Description:Displacement of 1,8-ANS from FABP3 (unknown origin) incubated for 3 mins by fluorescence based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50525617(CHEMBL4560388)
Affinity DataIC50:  1.40E+3nMAssay Description:Displacement of BODIPY 500/510 C4 from human FABP4 expressed in Escherichia coli incubated for 30 mins by FP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetFatty acid-binding protein, adipocyte(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50525617(CHEMBL4560388)
Affinity DataKd:  10nMAssay Description:Binding affinity to human FABP4 expressed in Escherichia coli assessed as degree of fluorescent shift by temperature-dependent fluorescence thermal s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50525617(CHEMBL4560388)
Affinity DataIC50:  800nMAssay Description:Displacement of BODIPY 500/510 C4 from human FABP3 expressed in Escherichia coli incubated for 30 mins by FP assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50525617(CHEMBL4560388)
Affinity DataKd:  520nMAssay Description:Binding affinity to human FABP3 expressed in Escherichia coli assessed as degree of fluorescent shift by temperature-dependent fluorescence thermal s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails PubMed