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Target
Sequence
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IC50
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EC50
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ΔH°
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null
SMILES:
NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1
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 = 50569039
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 12
(Homo sapiens (Human))
BDBM50569039
(CHEMBL4860334)
Show SMILES
NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
8.10
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.2021.113283
BindingDB Entry DOI:
10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM50569039
(CHEMBL4860334)
Show SMILES
NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
20
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.2021.113283
BindingDB Entry DOI:
10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50569039
(CHEMBL4860334)
Show SMILES
NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
140
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.2021.113283
BindingDB Entry DOI:
10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM50569039
(CHEMBL4860334)
Show SMILES
NS(=O)(=O)c1cccc(NC(=O)Nc2cc3cc(Br)ccc3o2)c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
280
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.2021.113283
BindingDB Entry DOI:
10.7270/Q24Q7ZSN
More data for this
Ligand-Target Pair
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