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BDBM50262064 4-(4-m-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide::CHEMBL469221

SMILES: Cc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=AQBLAUYUTQUGKH-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 = 50262064   
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 VA


(Homo sapiens (Human))
BDBM50262064
PNG
(4-(4-m-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-3-2-4-12(9-11)15-10-19(18-17-15)13-5-7-14(8-6-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
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Article
PubMed
19.6n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5A by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
BindingDB Entry DOI: 10.7270/Q2959JF0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50262064
PNG
(4-(4-m-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-3-2-4-12(9-11)15-10-19(18-17-15)13-5-7-14(8-6-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
PDB
MMDB

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Article
PubMed
33.8n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
BindingDB Entry DOI: 10.7270/Q2959JF0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50262064
PNG
(4-(4-m-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-3-2-4-12(9-11)15-10-19(18-17-15)13-5-7-14(8-6-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
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Article
PubMed
54.2n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA5B by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
BindingDB Entry DOI: 10.7270/Q2959JF0
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50262064
PNG
(4-(4-m-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1cccc(c1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-3-2-4-12(9-11)15-10-19(18-17-15)13-5-7-14(8-6-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
PDB
MMDB

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Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by CO2 hydration assay


Bioorg Med Chem Lett 18: 4624-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.010
BindingDB Entry DOI: 10.7270/Q2959JF0
More data for this
Ligand-Target Pair