BDBM50078833 4-Methyl-7-(diethylamino)coumarin::7-(diethylamino)-4-methyl-2H-chromen-2-one::CHEMBL315348::Coumarin 1::Coumarin 47::coumarin 460

SMILES CCN(CC)c1ccc2c(c1)OC(=O)C=C2C

InChI Key InChIKey=AFYCEAFSNDLKSX-UHFFFAOYSA-N

Data  2 KI  3 IC50  1 Kd  2 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50078833   

TargetSerine/threonine-protein kinase mTOR(Human)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50078833(7-(diethylamino)-4-methyl-2H-chromen-2-one | couma...)
Affinity DataKd:  1.30E+5nMAssay Description:Dissociation constant when binding to FK506 binding protein (FKBP).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50078833(7-(diethylamino)-4-methyl-2H-chromen-2-one | couma...)
Affinity DataIC50: 760nMAssay Description:Inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinal dehydrogenase 2(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50078833(7-(diethylamino)-4-methyl-2H-chromen-2-one | couma...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full length recombinant human ALDH1A2 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measur...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMed
TargetImmunoglobulin lambda variable 6-57(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50078833(7-(diethylamino)-4-methyl-2H-chromen-2-one | couma...)
Affinity DataEC50:  6.88E+3nMAssay Description:Stabilization of AL patient derived fluorescein-labeled IGLV6-57 T46L/F49Y mutant measured after 24 hrs by proteolysis coupled-fluorescence polarizat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetImmunoglobulin lambda variable 6-57(Human)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50078833(7-(diethylamino)-4-methyl-2H-chromen-2-one | couma...)
Affinity DataEC50:  3.24E+3nMAssay Description:Stabilization of AL patient derived full length fluorescein-labeled IGLV6-57 expressed in Escherichia coli BL21 (DE3) measured after 24 hrs by proteo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50078833(7-(diethylamino)-4-methyl-2H-chromen-2-one | couma...)
Affinity DataIC50: 760nMAssay Description:Inhibition of human ALDH1A1More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50078833(7-(diethylamino)-4-methyl-2H-chromen-2-one | couma...)
Affinity DataKi:  870nMAssay Description:Non-competitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase ac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAldehyde dehydrogenase 1A1(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50078833(7-(diethylamino)-4-methyl-2H-chromen-2-one | couma...)
Affinity DataKi:  1.20E+3nMAssay Description:Non-competitive inhibition of full length recombinant human ALDH1A1 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase ac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)