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BDBM50022180 5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2)::5,7-Dihydroxy-4-methyl-chromen-2-one::5,7-dihydroxy-4-methyl-2H-chromen-2-one::CHEMBL12252::Coumarin derivative, 1b

SMILES: Cc1cc(=O)oc2cc(O)cc(O)c12

InChI Key: InChIKey=QNVWGEJMXOQQPM-UHFFFAOYSA-N

Data: 4 KI  2 IC50

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 6 hits for monomerid = 50022180   
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))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
PDB
MMDB

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PubMed
190n/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))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
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PubMed
6.40E+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))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
PDB
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8.40E+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 2


(Homo sapiens (human))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,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
Aldose reductase


(Rattus norvegicus)
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
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n/an/a 1.70E+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
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
PDB

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Article
PubMed
n/an/a 4.72E+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