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BDBM248069 4-Methyl-2H-benzo[h]chromen-2-one (4)

SMILES: Cc1cc(=O)oc2c1ccc1ccccc21

InChI Key: InChIKey=UPMCEGGVPZVZHL-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 248069   
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))
BDBM248069
PNG
(4-Methyl-2H-benzo[h]chromen-2-one (4))
Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21
Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
PDB
MMDB

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230 -8.41n/an/an/an/an/a7.54



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...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM248069
PNG
(4-Methyl-2H-benzo[h]chromen-2-one (4))
Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21
Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
PDB
MMDB

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UniChem
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5.50E+3 -6.67n/an/an/an/an/a7.54



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...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM248069
PNG
(4-Methyl-2H-benzo[h]chromen-2-one (4))
Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21
Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
PDB
MMDB

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UniChem
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9.00E+3 -6.39n/an/an/an/an/a7.54



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...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM248069
PNG
(4-Methyl-2H-benzo[h]chromen-2-one (4))
Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21
Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PubMed
>2.00E+5>-4.69n/an/an/an/an/a7.54



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...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair