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SMILES: Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3)ccc12

InChI Key: InChIKey=RGMGLZVBKZSCTM-UHFFFAOYSA-N

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 = 50030625   
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 12


(Homo sapiens (Human))
BDBM50030625
PNG
(CHEMBL3354137)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C17H14N2O5S/c1-11-9-16(20)24-15-10-12(7-8-14(11)15)18-17(21)19-25(22,23)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,21)
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Article
PubMed
69n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50030625
PNG
(CHEMBL3354137)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C17H14N2O5S/c1-11-9-16(20)24-15-10-12(7-8-14(11)15)18-17(21)19-25(22,23)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,21)
PDB
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Article
PubMed
91n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50030625
PNG
(CHEMBL3354137)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C17H14N2O5S/c1-11-9-16(20)24-15-10-12(7-8-14(11)15)18-17(21)19-25(22,23)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,21)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50030625
PNG
(CHEMBL3354137)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C17H14N2O5S/c1-11-9-16(20)24-15-10-12(7-8-14(11)15)18-17(21)19-25(22,23)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


J Med Chem 57: 9152-67 (2014)


Article DOI: 10.1021/jm501314c
BindingDB Entry DOI: 10.7270/Q2CV4K97
More data for this
Ligand-Target Pair