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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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EC50
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null
SMILES:
COc1cc(ccc1CNCCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
5
hits for monomerid = 50589825
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Carbonic anhydrase 4
(Homo sapiens (Human))
BDBM50589825
(CHEMBL5193273)
Show SMILES
COc1cc(ccc1CNCCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
0.900
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI:
10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM50589825
(CHEMBL5193273)
Show SMILES
COc1cc(ccc1CNCCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
45
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI:
10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12
(Homo sapiens (Human))
BDBM50589825
(CHEMBL5193273)
Show SMILES
COc1cc(ccc1CNCCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
46
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI:
10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50589825
(CHEMBL5193273)
Show SMILES
COc1cc(ccc1CNCCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
47
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI:
10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM50589825
(CHEMBL5193273)
Show SMILES
COc1cc(ccc1CNCCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
82
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI:
10.7270/Q2DN491K
More data for this
Ligand-Target Pair
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