BDBM50468463 CHEMBL4290535::US10968163, Compound 3i

SMILES OC(=O)[C@H]1[C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)Oc1ccc(cc1)-c1ccccc1)c1ccccc1

InChI Key InChIKey=AIMUYVFFIALOTH-UHFFFAOYSA-N

Data  6 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50468463   

TargetFatty acid-binding protein, brain(Human)
The State University of New York

US Patent
LigandPNGBDBM50468463(CHEMBL4290535 | US10968163, Compound 3i)
Affinity DataKi:  30nMAssay 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 Depth
Date in BDB:
10/9/2021
Entry Details
Go to US Patent

TargetFatty acid-binding protein, heart(Human)
The State University of New York

US Patent
LigandPNGBDBM50468463(CHEMBL4290535 | US10968163, Compound 3i)
Affinity DataKi:  160nMAssay 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 Depth
Date in BDB:
10/9/2021
Entry Details
Go to US Patent

TargetFatty acid-binding protein 5(Human)
The State University of New York

US Patent
LigandPNGBDBM50468463(CHEMBL4290535 | US10968163, Compound 3i)
Affinity DataKi:  360nMAssay 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 Depth
Date in BDB:
10/9/2021
Entry Details
Go to US Patent

TargetFatty acid-binding protein, brain(Human)
The State University of New York

US Patent
LigandPNGBDBM50468463(CHEMBL4290535 | US10968163, Compound 3i)
Affinity DataKi:  2.27E+3nMAssay 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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetFatty acid-binding protein 5(Human)
The State University of New York

US Patent
LigandPNGBDBM50468463(CHEMBL4290535 | US10968163, Compound 3i)
Affinity DataKi:  2.52E+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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetFatty acid-binding protein, heart(Human)
The State University of New York

US Patent
LigandPNGBDBM50468463(CHEMBL4290535 | US10968163, Compound 3i)
Affinity DataKi:  3.93E+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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed