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Target
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Compile Data Set for Download or QSAR
Found
6
hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50570982'
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))
BDBM50570982
(CHEMBL4849196)
Show SMILES
COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.30
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112923
BindingDB Entry DOI:
10.7270/Q21N852G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50570982
(CHEMBL4849196)
Show SMILES
COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
4.30
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50570982
(CHEMBL4849196)
Show SMILES
COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
5.10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CA2 by stopped-flow assay
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116140
BindingDB Entry DOI:
10.7270/Q2TM7FWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50570982
(CHEMBL4849196)
Show SMILES
COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112923
BindingDB Entry DOI:
10.7270/Q21N852G
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50570982
(CHEMBL4849196)
Show SMILES
COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
4.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50570982
(CHEMBL4849196)
Show SMILES
COc1ccc(cc1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1cc(F)ccc1F |c:13|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CA2 by stopped-flow assay
Citation and Details
Article DOI:
10.1016/j.bmc.2021.116140
BindingDB Entry DOI:
10.7270/Q2TM7FWZ
More data for this
Ligand-Target Pair