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BDBM15233 4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene-1-sulfonamide::alcohol-triazole 17::benzene sulfonamide 17

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

InChI Key: InChIKey=IIQIBRLYHGPETH-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 15233   
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 12


(Homo sapiens (Human))
BDBM15233
PNG
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
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Article
PubMed
3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM15233
PNG
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
PDB
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PubMed
8.10n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM15233
PNG
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
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48n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM15233
PNG
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
PDB
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134n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM15233
PNG
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
PDB
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Article
PubMed
235n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM15233
PNG
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
PDB
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Article
PubMed
873n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM15233
PNG
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
PDB
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NCI pathway
Reactome pathway
KEGG

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Article
PubMed
6.20E+3 -7.10n/an/an/an/an/a7.525



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair