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SMILES: Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1

InChI Key: InChIKey=GNOQGZBRNYQEDY-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 = 50030626   
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))
BDBM50030626
PNG
(CHEMBL3354138)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C18H16N2O5S/c1-11-3-6-14(7-4-11)26(23,24)20-18(22)19-13-5-8-15-12(2)9-17(21)25-16(15)10-13/h3-10H,1-2H3,(H2,19,20,22)
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MMDB

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Article
PubMed
9.40n/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))
BDBM50030626
PNG
(CHEMBL3354138)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C18H16N2O5S/c1-11-3-6-14(7-4-11)26(23,24)20-18(22)19-13-5-8-15-12(2)9-17(21)25-16(15)10-13/h3-10H,1-2H3,(H2,19,20,22)
PDB
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Article
PubMed
23n/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))
BDBM50030626
PNG
(CHEMBL3354138)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C18H16N2O5S/c1-11-3-6-14(7-4-11)26(23,24)20-18(22)19-13-5-8-15-12(2)9-17(21)25-16(15)10-13/h3-10H,1-2H3,(H2,19,20,22)
PDB
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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))
BDBM50030626
PNG
(CHEMBL3354138)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccc2c(C)cc(=O)oc2c1
Show InChI InChI=1S/C18H16N2O5S/c1-11-3-6-14(7-4-11)26(23,24)20-18(22)19-13-5-8-15-12(2)9-17(21)25-16(15)10-13/h3-10H,1-2H3,(H2,19,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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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