BDBM50468433 CHEMBL4281879::US20230365488, Compound 1x

SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1cccc2ccccc12)c1ccccc1

InChI Key InChIKey=NVOKBONTLOAJKA-CQJMVLFOSA-N

Data  6 KI

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50468433   

TargetFatty acid-binding protein, brain(Homo sapiens)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50468433(CHEMBL4281879 | US20230365488, Compound 1x)
Affinity DataKi:  450nMAssay Description:Displacement of ANS from recombinant human N-terminal His-tagged FABP7 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetFatty acid-binding protein, brain(Homo sapiens)
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50468433(CHEMBL4281879 | US20230365488, Compound 1x)
Affinity DataKi:  450nMAssay Description:Purified FABPs (3 μM) were incubated with fluorescent probe (500 nM) in 30 mM Tris, 100 mM NaCl buffer (pH 7.5). Compounds to be tested were the...More data for this Ligand-Target Pair
TargetFatty acid-binding protein 5(Homo sapiens (Human))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50468433(CHEMBL4281879 | US20230365488, Compound 1x)
Affinity DataKi:  790nMAssay Description:Displacement of DAUDA from recombinant human N-terminal His-tagged FABP5 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assayMore data for this Ligand-Target Pair
TargetFatty acid-binding protein 5(Homo sapiens (Human))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50468433(CHEMBL4281879 | US20230365488, Compound 1x)
Affinity DataKi:  810nMAssay Description:Purified FABPs (3 μM) were incubated with fluorescent probe (500 nM) in 30 mM Tris, 100 mM NaCl buffer (pH 7.5). Compounds to be tested were the...More data for this Ligand-Target Pair
TargetFABP3 protein(Human)
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM50468433(CHEMBL4281879 | US20230365488, Compound 1x)
Affinity DataKi:  2.70E+3nMAssay Description:Purified FABPs (3 μM) were incubated with fluorescent probe (500 nM) in 30 mM Tris, 100 mM NaCl buffer (pH 7.5). Compounds to be tested were the...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50468433(CHEMBL4281879 | US20230365488, Compound 1x)
Affinity DataKi:  2.82E+3nMAssay Description:Displacement of DAUDA from recombinant human N-terminal His-tagged FABP3 expressed in Escherichia coli BL21(DE3) after 20 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed