BindingDB logo
myBDB logout

BDBM50303496 6-(hydroxymethyl)-2H-chromen-2-one::CHEMBL571738

SMILES: OCc1ccc2oc(=O)ccc2c1

InChI Key: InChIKey=BPTGMUVORRVIEP-UHFFFAOYSA-N

Data: 13 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 13 hits for monomerid = 50303496   
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 XIII


(Mus musculus (mouse))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
47n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.70E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.20E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.40E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.70E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.50E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.70E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.71E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.92E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.64E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.43E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)

More data for this
Ligand-Target Pair