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BDBM50332025 8-acetyl-7-ethoxy-2H-chromen-2-one::CHEMBL1288595

SMILES: CCOc1ccc2ccc(=O)oc2c1C(C)=O

InChI Key: InChIKey=KWMPAFCHEJYQEQ-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 = 50332025   
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
Zn finger protein


(Nicotiana tabacum)
BDBM50332025
PNG
(8-acetyl-7-ethoxy-2H-chromen-2-one | CHEMBL1288595)
Show SMILES CCOc1ccc2ccc(=O)oc2c1C(C)=O
Show InChI InChI=1S/C13H12O4/c1-3-16-10-6-4-9-5-7-11(15)17-13(9)12(10)8(2)14/h4-7H,3H2,1-2H3
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by stopped-flow CO2 hydration method


Bioorg Med Chem Lett 20: 7255-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.094
BindingDB Entry DOI: 10.7270/Q2416X9P
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50332025
PNG
(8-acetyl-7-ethoxy-2H-chromen-2-one | CHEMBL1288595)
Show SMILES CCOc1ccc2ccc(=O)oc2c1C(C)=O
Show InChI InChI=1S/C13H12O4/c1-3-16-10-6-4-9-5-7-11(15)17-13(9)12(10)8(2)14/h4-7H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
70.8n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method


Bioorg Med Chem Lett 20: 7255-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.094
BindingDB Entry DOI: 10.7270/Q2416X9P
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50332025
PNG
(8-acetyl-7-ethoxy-2H-chromen-2-one | CHEMBL1288595)
Show SMILES CCOc1ccc2ccc(=O)oc2c1C(C)=O
Show InChI InChI=1S/C13H12O4/c1-3-16-10-6-4-9-5-7-11(15)17-13(9)12(10)8(2)14/h4-7H,3H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of full length human CA1 cytosolic isoform by stopped-flow CO2 hydration method


Bioorg Med Chem Lett 20: 7255-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.094
BindingDB Entry DOI: 10.7270/Q2416X9P
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50332025
PNG
(8-acetyl-7-ethoxy-2H-chromen-2-one | CHEMBL1288595)
Show SMILES CCOc1ccc2ccc(=O)oc2c1C(C)=O
Show InChI InChI=1S/C13H12O4/c1-3-16-10-6-4-9-5-7-11(15)17-13(9)12(10)8(2)14/h4-7H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration method


Bioorg Med Chem Lett 20: 7255-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.094
BindingDB Entry DOI: 10.7270/Q2416X9P
More data for this
Ligand-Target Pair