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Target
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-TΔS°
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Compile Data Set for Download or QSAR
Found
15
hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM26980'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
-6.74
n/a
n/a
n/a
n/a
n/a
7.5
20
Universita degli Studi di Firenze
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...
Bioorg Med Chem Lett
19:
1155
-
8
(2009)
Article DOI:
10.1016/j.bmcl.2008.12.082
BindingDB Entry DOI:
10.7270/Q2KD1W79
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Ondokuz Mayis University
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 2 by Lineweaver-Burk curves
Bioorg Med Chem
19:
744
-
8
(2011)
Article DOI:
10.1016/j.bmc.2010.12.033
BindingDB Entry DOI:
10.7270/Q2ST7QT4
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
University of Florida
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase-2 by [18O]-exchange mass spectroscopy
Bioorg Med Chem Lett
25:
4937
-
40
(2015)
Article DOI:
10.1016/j.bmcl.2015.05.001
BindingDB Entry DOI:
10.7270/Q2VQ34GP
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Centre Scientifique de Monaco
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay
Bioorg Med Chem Lett
21:
710
-
4
(2011)
Checked by Author
Article DOI:
10.1016/j.bmcl.2010.11.124
BindingDB Entry DOI:
10.7270/Q26D5T7K
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
7.5
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at pH 7.5
Bioorg Med Chem
19:
1847
-
51
(2011)
Article DOI:
10.1016/j.bmc.2011.02.015
BindingDB Entry DOI:
10.7270/Q2QN672R
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
8.3
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay at pH 8.3
Bioorg Med Chem Lett
21:
3591
-
5
(2011)
Article DOI:
10.1016/j.bmcl.2011.04.105
BindingDB Entry DOI:
10.7270/Q2930TGN
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibitory constant against carbonic anhydrase II
Bioorg Med Chem Lett
14:
4563
-
7
(2004)
Article DOI:
10.1016/j.bmcl.2004.06.073
BindingDB Entry DOI:
10.7270/Q2H995ZD
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli
Bioorg Med Chem Lett
14:
5435
-
9
(2004)
Checked by Author
Article DOI:
10.1016/j.bmcl.2004.07.086
BindingDB Entry DOI:
10.7270/Q2SN09QF
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition constant of anion against human carbonic anhydrase isozyme hCA II
Bioorg Med Chem Lett
14:
5769
-
73
(2004)
Article DOI:
10.1016/j.bmcl.2004.09.063
BindingDB Entry DOI:
10.7270/Q24X58JJ
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Istituto di Biostrutture e Bioimmagini
Curated by
ChEMBL
Assay Description
Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay
Bioorg Med Chem Lett
23:
1626
-
30
(2013)
Article DOI:
10.1016/j.bmcl.2013.01.087
BindingDB Entry DOI:
10.7270/Q23X8806
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
Bioorg Med Chem Lett
23:
1636
-
8
(2013)
Article DOI:
10.1016/j.bmcl.2013.01.084
BindingDB Entry DOI:
10.7270/Q2VD70TX
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Istituto di Biochimica delle Proteine (IBP)
Curated by
ChEMBL
Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay
Bioorg Med Chem
21:
1465
-
9
(2013)
Article DOI:
10.1016/j.bmc.2012.09.047
BindingDB Entry DOI:
10.7270/Q20R9QQQ
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Kochi Medical School
Curated by
ChEMBL
Assay Description
Inhibition of human recombinant wild type CA2 by stopped-flow CO2 hydration method
Bioorg Med Chem Lett
23:
256
-
60
(2012)
Article DOI:
10.1016/j.bmcl.2012.10.103
BindingDB Entry DOI:
10.7270/Q2ZC846G
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
Universit£ degli Studi di Firenze
Curated by
ChEMBL
Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay
Bioorg Med Chem Lett
22:
7142
-
5
(2012)
Article DOI:
10.1016/j.bmcl.2012.09.065
BindingDB Entry DOI:
10.7270/Q2930VB8
More data for this
Ligand-Target Pair
3D Structure (crystal)
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM26980
(Br- | CHEMBL1644030 | CHEMBL1644694 | bromide | br...)
Show SMILES
[Br-]
Show InChI
InChI=1S/BrH/h1H/p-1
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
6.30E+7
-6.74
n/a
n/a
n/a
n/a
n/a
7.5
20
Universit£ degli Studi di Firenze
Assay Description
Inhibition of Helicobacter pylori alpha carbonic anhydrase preincubated for 15 mins by stopped-flow CO2 hydrase assay
Bioorg Med Chem
24:
3413
-
7
(2016)
Article DOI:
10.1016/j.bmc.2016.05.029
BindingDB Entry DOI:
10.7270/Q2W9583B
More data for this
Ligand-Target Pair
3D Structure (crystal)