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BDBM50261759 4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide::CHEMBL512809

SMILES: COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1

InChI Key: InChIKey=PLCKTMGWXIPGQX-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50261759   
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 VB


(Homo sapiens (Human))
BDBM50261759
PNG
(4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1...)
Show SMILES COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
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PC cid
PC sid
UniChem
Article
PubMed
10.5n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50261759
PNG
(4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1...)
Show SMILES COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
11.7n/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
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50261759
PNG
(4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1...)
Show SMILES COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
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16.9n/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
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50261759
PNG
(4-(4-(4-methoxy-2-methylphenyl)-1H-1,2,3-triazol-1...)
Show SMILES COc1ccc(-c2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C16H16N4O3S/c1-11-9-13(23-2)5-8-15(11)16-10-20(19-18-16)12-3-6-14(7-4-12)24(17,21)22/h3-10H,1-2H3,(H2,17,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.80E+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
More data for this
Ligand-Target Pair