BDBM50468478 CHEMBL4280183::US10968163, Compound 4j::US20230365488, Compound 1w

SMILES COc1ccccc1[C@H]1[C@@H]([C@@H]([C@H]1C(=O)OCC1c2ccccc2-c2ccccc12)c1ccccc1OC)C(O)=O

InChI Key InChIKey=HQXNSTCPBAPWHN-YDPTYEFTSA-N

Data  9 KI

  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 9 hits for monomerid = 50468478   

TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j | US202303...)
Affinity DataKi:  120nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j | US202303...)
Affinity DataKi:  1.72E+3nMAssay 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
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein 5(Homo sapiens (Human))
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j | US202303...)
Affinity DataKi:  1.72E+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, brain(Homo sapiens)
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j | US202303...)
Affinity DataKi:  4.26E+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, brain(Homo sapiens)
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j | US202303...)
Affinity DataKi: >1.00E+4nMAssay 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
In DepthDetails ArticlePubMed
TargetFatty acid-binding protein, heart(Homo sapiens (Human))
Stony Brook University

Curated by ChEMBL
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j | US202303...)
Affinity DataKi: >1.00E+4nMAssay 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
TargetFABP3 protein(Human)
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j | US202303...)
Affinity DataKi:  2.53E+4nMAssay 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
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j | US202303...)
Affinity DataKi: >1.00E+7nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetFatty acid-binding protein, brain(Homo sapiens)
The Research Foundation For The State University of New York

US Patent
LigandPNGBDBM50468478(CHEMBL4280183 | US10968163, Compound 4j | US202303...)
Affinity DataKi: >1.00E+7nMAssay Description:FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...More data for this Ligand-Target Pair
In DepthDetails US Patent