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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: 8 KI  12 IC50

PDB links: 6 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50022178   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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PubMed
450n/an/an/an/an/an/an/an/a



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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PubMed
560n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 after 6 hrs by stopped flow CO2 hydration assay


J Med Chem 54: 8271-7 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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4.30E+3n/an/an/an/an/an/an/an/a



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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4.80E+3n/an/an/an/an/an/an/an/a



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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8.10E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 after 6 hrs by stopped flow CO2 hydration assay


J Med Chem 54: 8271-7 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full-length cytosolic CA2 after 6 hrs by stopped flow CO2 hydration assay


J Med Chem 54: 8271-7 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human full-length cytosolic CA1 after 6 hrs by stopped flow CO2 hydration assay


J Med Chem 54: 8271-7 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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>2.00E+5n/an/an/an/an/an/an/an/a



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)

More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 6.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory concentration against rat lens aldose reductase (noncompetitive inhibition type)


Citation and Details
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...


Eur J Med Chem 64: 540-53 (2013)

More data for this
Ligand-Target Pair
Sorbitol dehydrogenase


(Homo sapiens)
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 1.53E+5n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition sorbitol dehydrogenase by spectrophotometric analysis


Bioorg Med Chem Lett 20: 5630-3 (2010)

More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 2.45E+4n/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Inhibition human recombinant aldose reductase 1 by spectrophotometric analysis


Bioorg Med Chem Lett 20: 5630-3 (2010)

More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sumitomo Chemical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human 17beta-HSD3 expressed in HeLa cells


Bioorg Med Chem Lett 20: 272-5 (2010)

More data for this
Ligand-Target Pair
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 8.04E+4n/an/an/an/an/an/a



University of Santiago de Compostela 15782

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by fluorimetric method


J Med Chem 51: 6740-51 (2008)

More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in bilirubin glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)

More data for this
Ligand-Target Pair
Uridine-5'-diphosphoglucuronosyltransferase 1A1


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as reduction in estradiol 3-glucuronidation by LC-MS/MS method


Drug Metab Dispos 39: 322-9 (2011)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 1.67E+5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...


Eur J Med Chem 64: 540-53 (2013)

More data for this
Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC


(Mycobacterium tuberculosis H37Rv)
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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PCBioAssay
n/an/a 999n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...


Citation and Details
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 3.38E+4n/an/an/an/a7.030



UMDNJ-New Jersey Medical School



Assay Description
Inhibition assay using HCV NS5B.


Chem Biol Drug Des 81: 607-14 (2013)

More data for this
Ligand-Target Pair