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BDBM50247774 1,4-phenylene disulfamate::CHEMBL461964

SMILES: NS(=O)(=O)Oc1ccc(OS(N)(=O)=O)cc1

InChI Key: InChIKey=BPEJBYDTMVTZIA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50247774   
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))
BDBM50247774
PNG
(1,4-phenylene disulfamate | CHEMBL461964)
Show SMILES NS(=O)(=O)Oc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
61.6n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay


Bioorg Med Chem 17: 553-7 (2009)


Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50247774
PNG
(1,4-phenylene disulfamate | CHEMBL461964)
Show SMILES NS(=O)(=O)Oc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-1-2-6(4-3-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
643n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay


Bioorg Med Chem 17: 553-7 (2009)


Article DOI: 10.1016/j.bmc.2008.11.071
BindingDB Entry DOI: 10.7270/Q28K790B
More data for this
Ligand-Target Pair