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PDB code 4YXO

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
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Article
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0.0500n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
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0.0500n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.050
BindingDB Entry DOI: 10.7270/Q2K938T6
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
PDB
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Article
PubMed
109n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
PDB
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Article
PubMed
n/an/an/a 1.25E+5n/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as steady state dissociation co...


J Med Chem 59: 4245-56 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01643
BindingDB Entry DOI: 10.7270/Q2PV6NB2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2

  (260/260 = 100%)
(Homo sapiens (Human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
PDB
MMDB

Reactome pathway
KEGG

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
PDB
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Article
PubMed
n/an/an/a 9.83E+4n/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as dissociation constant by SPR...


J Med Chem 59: 4245-56 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01643
BindingDB Entry DOI: 10.7270/Q2PV6NB2
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output