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Compile Data Set for Download or QSAR
Found
5
hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50152970'
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))
BDBM50152970
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES
O[N+]([O-])=O
Show InChI
InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
7.00E+6
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))
BDBM50152970
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES
O[N+]([O-])=O
Show InChI
InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
7.00E+6
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
Bioorg Med Chem Lett
15:
567
-
71
(2005)
Article DOI:
10.1016/j.bmcl.2004.11.056
BindingDB Entry DOI:
10.7270/Q22R3SDV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM50152970
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES
O[N+]([O-])=O
Show InChI
InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
7.00E+6
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))
BDBM50152970
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES
O[N+]([O-])=O
Show InChI
InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
7.00E+6
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))
BDBM50152970
(CHEMBL1352 | HONO2 | nitric acid)
Show SMILES
O[N+]([O-])=O
Show InChI
InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MMDB
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
7.00E+6
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 I
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