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BDBM50197816 CHEMBL3918252

SMILES: NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1

InChI Key: InChIKey=AZXUEYSUIQHPTG-UHFFFAOYSA-N

Data: 4 KI

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 = 50197816   
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 2


(Homo sapiens (Human))
BDBM50197816
PNG
(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50197816
PNG
(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50197816
PNG
(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
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PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50197816
PNG
(CHEMBL3918252)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C15H14N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10H,11H2,(H2,16,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
350n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay


J Med Chem 59: 10692-10704 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01389
BindingDB Entry DOI: 10.7270/Q2Q81G1H
More data for this
Ligand-Target Pair