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BDBM50165753 CHEMBL195540::N-hydroxysulfamide

SMILES: NS(=O)(=O)NO

InChI Key: InChIKey=FZTCJYJKHSXPEX-UHFFFAOYSA-N

Data: 6 KI

PDB links: 1 PDB ID matches this monomer.

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 6 hits for monomerid = 50165753   
Target
(Institution)
LigandTarget
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))
BDBM50165753
PNG
(CHEMBL195540 | N-hydroxysulfamide)
Show SMILES NS(=O)(=O)NO
Show InChI InChI=1S/H4N2O3S/c1-6(4,5)2-3/h2-3H,(H2,1,4,5)
PDB
MMDB

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PC sid
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Article
PubMed
566n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase II


Bioorg Med Chem Lett 15: 2353-8 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50165753
PNG
(CHEMBL195540 | N-hydroxysulfamide)
Show SMILES NS(=O)(=O)NO
Show InChI InChI=1S/H4N2O3S/c1-6(4,5)2-3/h2-3H,(H2,1,4,5)
PDB
MMDB

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UniChem
AffyNet 
PDB
Article
PubMed
566n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50165753
PNG
(CHEMBL195540 | N-hydroxysulfamide)
Show SMILES NS(=O)(=O)NO
Show InChI InChI=1S/H4N2O3S/c1-6(4,5)2-3/h2-3H,(H2,1,4,5)
PDB
MMDB

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Article
PubMed
865n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50165753
PNG
(CHEMBL195540 | N-hydroxysulfamide)
Show SMILES NS(=O)(=O)NO
Show InChI InChI=1S/H4N2O3S/c1-6(4,5)2-3/h2-3H,(H2,1,4,5)
PDB
MMDB

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PubMed
1.34E+3n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50165753
PNG
(CHEMBL195540 | N-hydroxysulfamide)
Show SMILES NS(=O)(=O)NO
Show InChI InChI=1S/H4N2O3S/c1-6(4,5)2-3/h2-3H,(H2,1,4,5)
PDB
MMDB

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PC sid
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Article
PubMed
4.05E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory constant against human Carbonic anhydrase I


Bioorg Med Chem Lett 15: 2353-8 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50165753
PNG
(CHEMBL195540 | N-hydroxysulfamide)
Show SMILES NS(=O)(=O)NO
Show InChI InChI=1S/H4N2O3S/c1-6(4,5)2-3/h2-3H,(H2,1,4,5)
PDB
MMDB

NCI pathway
Reactome pathway
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
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PC cid
PC sid
PDB
UniChem
AffyNet 
Article
PubMed
4.05E+3n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem Lett 20: 3601-5 (2010)

More data for this
Ligand-Target Pair