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SMILES: Cc1cc(=O)oc2cc(N)ccc12

InChI Key: InChIKey=GLNDAGDHSLMOKX-UHFFFAOYSA-N

PDB links: 20 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 5 hits for monomerid = 71742   
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 1


(Homo sapiens (Human))
BDBM71742
PNG
(7-amino-4-methyl-1-benzopyran-2-one | 7-amino-4-me...)
Show SMILES Cc1cc(=O)oc2cc(N)ccc12
Show InChI InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
PDB
MMDB

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KEGG

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MCE
KEGG
PC cid
PC sid
PDB
UniChem
Article
PubMed
5.56E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 6 hrs by stop-flow CO2 hydration assay


Bioorg Med Chem 20: 2266-73 (2012)


Article DOI: 10.1016/j.bmc.2012.02.014
BindingDB Entry DOI: 10.7270/Q2P26ZK0
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM71742
PNG
(7-amino-4-methyl-1-benzopyran-2-one | 7-amino-4-me...)
Show SMILES Cc1cc(=O)oc2cc(N)ccc12
Show InChI InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
PDB
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MCE
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PC sid
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UniChem
Article
PubMed
7.64E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 6 hrs by stop-flow CO2 hydration assay


Bioorg Med Chem 20: 2266-73 (2012)


Article DOI: 10.1016/j.bmc.2012.02.014
BindingDB Entry DOI: 10.7270/Q2P26ZK0
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM71742
PNG
(7-amino-4-methyl-1-benzopyran-2-one | 7-amino-4-me...)
Show SMILES Cc1cc(=O)oc2cc(N)ccc12
Show InChI InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
PDB
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KEGG

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MCE
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Article
PubMed
9.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 after 6 hrs by stop-flow CO2 hydration assay


Bioorg Med Chem 20: 2266-73 (2012)


Article DOI: 10.1016/j.bmc.2012.02.014
BindingDB Entry DOI: 10.7270/Q2P26ZK0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM71742
PNG
(7-amino-4-methyl-1-benzopyran-2-one | 7-amino-4-me...)
Show SMILES Cc1cc(=O)oc2cc(N)ccc12
Show InChI InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
PDB
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KEGG

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MCE
KEGG
PC cid
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UniChem
Article
PubMed
>2.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 6 hrs by stop-flow CO2 hydration assay


Bioorg Med Chem 20: 2266-73 (2012)


Article DOI: 10.1016/j.bmc.2012.02.014
BindingDB Entry DOI: 10.7270/Q2P26ZK0
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Mus musculus)
BDBM71742
PNG
(7-amino-4-methyl-1-benzopyran-2-one | 7-amino-4-me...)
Show SMILES Cc1cc(=O)oc2cc(N)ccc12
Show InChI InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
PDB

KEGG

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MCE
KEGG
PC cid
PC sid
PDB
UniChem
PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair