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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2cc(F)c(=O)[nH]c2=O)nn1
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
4
hits for monomerid = 50564139
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 9
(Homo sapiens (Human))
BDBM50564139
(CHEMBL4785560)
Show SMILES
NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2cc(F)c(=O)[nH]c2=O)nn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
0.470
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.2020.112112
BindingDB Entry DOI:
10.7270/Q2J96B4W
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50564139
(CHEMBL4785560)
Show SMILES
NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2cc(F)c(=O)[nH]c2=O)nn1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
0.670
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.2020.112112
BindingDB Entry DOI:
10.7270/Q2J96B4W
More data for this
Ligand-Target Pair
Carbonic anhydrase 12
(Homo sapiens (Human))
BDBM50564139
(CHEMBL4785560)
Show SMILES
NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2cc(F)c(=O)[nH]c2=O)nn1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
9.80
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.2020.112112
BindingDB Entry DOI:
10.7270/Q2J96B4W
More data for this
Ligand-Target Pair
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM50564139
(CHEMBL4785560)
Show SMILES
NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2cc(F)c(=O)[nH]c2=O)nn1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
651
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.2020.112112
BindingDB Entry DOI:
10.7270/Q2J96B4W
More data for this
Ligand-Target Pair
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