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SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1cccnc1

InChI Key: InChIKey=OXDZTUCLLJDORR-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 3 hits for monomerid = 50428520   
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))
BDBM50428520
PNG
(CHEMBL2336632)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1cccnc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22)
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Univ. Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1451-64 (2013)


Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428520
PNG
(CHEMBL2336632)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1cccnc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22)
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Article
PubMed
43n/an/an/an/an/an/an/an/a



Univ. Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1451-64 (2013)


Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428520
PNG
(CHEMBL2336632)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1cccnc1
Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



Univ. Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1451-64 (2013)


Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC
More data for this
Ligand-Target Pair