BDBM50095994 3-Cyano-7-hydroxycoumarin (2)::7-Hydroxy-2-oxo-2H-chromene-3-carbonitrile::CHEMBL150302

SMILES Oc1ccc2cc(C#N)c(=O)oc2c1

InChI Key InChIKey=IJQYTHQDUDCJEQ-UHFFFAOYSA-N

Data  12 KI

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50095994   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  240nM ΔG°:  -8.39kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  370nM ΔG°:  -8.15kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  1.87E+3nM ΔG°:  -7.26kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  2.27E+3nM ΔG°:  -7.15kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMacrophage migration inhibitory factor(Homo sapiens (Human))
Yamanouchi Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  2.90E+3nMAssay Description:Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  2.98E+3nM ΔG°:  -7.00kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  5.34E+3nM ΔG°:  -6.68kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  6.25E+3nM ΔG°:  -6.59kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  7.11E+3nM ΔG°:  -6.52kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi:  1.04E+5nM ΔG°:  -5.05kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi: >2.00E+5nM ΔG°: >-4.69kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 4(Homo sapiens (Human))
Ecole Nationale Superieure De Chimie De Montpellier

LigandPNGBDBM50095994(3-Cyano-7-hydroxycoumarin (2) | 7-Hydroxy-2-oxo-2H...)
Affinity DataKi: >2.00E+5nM ΔG°: >-4.69kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed