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SMILES: NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(Br)cc1O

InChI Key: InChIKey=CRYPWBMJULHVDU-LZYBPNLTSA-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 = 50029066   
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 9


(Homo sapiens (Human))
BDBM50029066
PNG
(CHEMBL3343261)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(Br)cc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-2-1-9(13(17)7-10)8-16-11-3-5-12(6-4-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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MMDB

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Article
PubMed
28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-9 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50029066
PNG
(CHEMBL3343261)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(Br)cc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-2-1-9(13(17)7-10)8-16-11-3-5-12(6-4-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
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Article
PubMed
59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-12 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50029066
PNG
(CHEMBL3343261)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(Br)cc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-2-1-9(13(17)7-10)8-16-11-3-5-12(6-4-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
PDB
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KEGG

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Article
PubMed
707n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-2 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50029066
PNG
(CHEMBL3343261)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C\c1ccc(Br)cc1O
Show InChI InChI=1S/C13H11BrN2O3S/c14-10-2-1-9(13(17)7-10)8-16-11-3-5-12(6-4-11)20(15,18)19/h1-8,17H,(H2,15,18,19)/b16-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
4.32E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA-1 after 15 mins by stopped-flow CO2 hydration method


Bioorg Med Chem 22: 5883-90 (2014)


Article DOI: 10.1016/j.bmc.2014.09.021
BindingDB Entry DOI: 10.7270/Q2W097J5
More data for this
Ligand-Target Pair