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Found
8
hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM26982'
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 1
(Homo sapiens (Human))
BDBM26982
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES
[N-]=C=O
Show InChI
InChI=1S/CNO/c2-1-3/q-1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
700
-34.5
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
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM26982
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES
[N-]=C=O
Show InChI
InChI=1S/CNO/c2-1-3/q-1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
700
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 CA1 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
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM26982
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES
[N-]=C=O
Show InChI
InChI=1S/CNO/c2-1-3/q-1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
700
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 1 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
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM26982
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES
[N-]=C=O
Show InChI
InChI=1S/CNO/c2-1-3/q-1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
700
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 CA1 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
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM26982
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES
[N-]=C=O
Show InChI
InChI=1S/CNO/c2-1-3/q-1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
700
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 I 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
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM26982
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES
[N-]=C=O
Show InChI
InChI=1S/CNO/c2-1-3/q-1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
700
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 I
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
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM26982
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES
[N-]=C=O
Show InChI
InChI=1S/CNO/c2-1-3/q-1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
700
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 1 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
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM26982
(CHEMBL1644696 | CNO(-1) | cyanate)
Show SMILES
[N-]=C=O
Show InChI
InChI=1S/CNO/c2-1-3/q-1
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
700
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 1 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