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Compile Data Set for Download or QSAR

Found 8 hits of kd for monomerid = 50329833   
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 7


(Homo sapiens (Human))
BDBM50329833
PNG
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22)
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PubMed
n/an/an/a 30n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by thermal shift assay


Bioorg Med Chem 18: 7357-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50329833
PNG
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22)
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n/an/an/a 100n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 7 by isothermal titration calorimetry assay


Bioorg Med Chem 18: 7357-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50329833
PNG
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22)
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PubMed
n/an/an/a 100n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay


Bioorg Med Chem 18: 7357-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50329833
PNG
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22)
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PubMed
n/an/an/a 100n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay


Bioorg Med Chem 18: 7357-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50329833
PNG
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22)
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PubMed
n/an/an/a 100n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 2 by isothermal titration calorimetry assay


Bioorg Med Chem 18: 7357-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 13


(Homo sapiens (Human))
BDBM50329833
PNG
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22)
PDB

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/a 200n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay


Bioorg Med Chem 18: 7357-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50329833
PNG
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22)
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PubMed
n/an/an/a 1.00E+3n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by thermal shift assay


Bioorg Med Chem 18: 7357-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50329833
PNG
(5-[(1H-Benzimidazol-2-ylsulfanyl)acetyl]-2-chlorob...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12ClN3O3S2/c16-10-6-5-9(7-14(10)24(17,21)22)13(20)8-23-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H,18,19)(H2,17,21,22)
PDB
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PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 1 by isothermal titration calorimetry assay


Bioorg Med Chem 18: 7357-64 (2010)


Article DOI: 10.1016/j.bmc.2010.09.016
BindingDB Entry DOI: 10.7270/Q21V5F6H
More data for this
Ligand-Target Pair