BDBM50022178 4-Methyl-7-hydroxycoumarin::4-methylumbelliferone::7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran::7-Hydroxy-4-methyl-2-oxo-3-chromene::7-Hydroxy-4-methyl-2H-1-benzopyran-2-one::7-Hydroxy-4-methyl-2H-2-one (1)::7-Hydroxy-4-methylcoumarin::7-hydroxy-4-methyl-2H-chromen-2-one::CHEMBL12208::Coumarin derivative, 3b::Imecromone::beta-Methylumbelliferone::cid_5280567

SMILES Cc1cc(=O)oc2cc(O)ccc12

InChI Key InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N

Data  9 KI  15 IC50

PDB links: 7 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 24 hits for monomerid = 50022178   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
S.G.S.I.T.S.

LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataKi:  450nM ΔG°:  -8.04kcal/molepH: 7.5 T: 2°CAssay Description:An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
S.G.S.I.T.S.

LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataKi:  560nMAssay Description:Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
S.G.S.I.T.S.

LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataKi:  4.30E+3nM ΔG°:  -6.80kcal/molepH: 7.5 T: 2°CAssay Description:An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed 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))
S.G.S.I.T.S.

LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataKi:  4.80E+3nM ΔG°:  -6.74kcal/molepH: 7.5 T: 2°CAssay Description:An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed 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))
S.G.S.I.T.S.

LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataKi:  8.10E+3nMAssay Description:Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Dalian University Of Technology

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataKi:  2.22E+4nMAssay Description:Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
S.G.S.I.T.S.

LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human full-length cytosolic CA1 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human full-length cytosolic CA2 after 6 hrs by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
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 catalyzed CO2 hydration activity. Phenol red (at a concentration of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  6.20E+4nMAssay Description:Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  1.67E+5nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50: >100nMAssay Description:Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins followed by substrate addition measured up to 180...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear factor NF-kappa-B p105 subunit(Homo sapiens (Human))
BioPharmaNet

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSorbitol dehydrogenase(Homo sapiens (Human))
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  1.53E+5nMAssay Description:Inhibition sorbitol dehydrogenase by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldo-keto reductase family 1 member B1(Homo sapiens (Human))
University of Toyama

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  2.45E+4nMAssay Description:Inhibition human recombinant aldose reductase 1 by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target17-beta-hydroxysteroid dehydrogenase type 3(Homo sapiens (Human))
Sumitomo Chemical Co.

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of human 17beta-HSD3 expressed in HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
University Of Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  8.04E+4nMAssay Description:Inhibition of human recombinant MAOB by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUDP-glucuronosyltransferase 1A1(Homo sapiens (Human))
University of Minnesota

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Dalian University Of Technology

Curated by ChEMBL
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  1.04E+5nMAssay Description:Displacement of FAM-Bid peptide from recombinant N-terminal His6x-tagged human Mcl-1 expressed in Escherichia coli BL21 (DE3) incubated for 30 mins b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis H37Rv)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  999nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate BK) (HCV))
Umdnj-New Jersey Medical School

LigandPNGBDBM50022178(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Affinity DataIC50:  3.38E+4nMpH: 7.0 T: 2°CAssay Description:Inhibition assay using HCV NS5B.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed