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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1OC
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 = 50588851
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 2
(Homo sapiens (Human))
BDBM50588851
(CHEMBL5185501)
Show SMILES
COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1OC |c:8|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
0.0890
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 12
(Homo sapiens (Human))
BDBM50588851
(CHEMBL5185501)
Show SMILES
COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1OC |c:8|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>9
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 9
(Homo sapiens (Human))
BDBM50588851
(CHEMBL5185501)
Show SMILES
COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1OC |c:8|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>44
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 1
(Homo sapiens (Human))
BDBM50588851
(CHEMBL5185501)
Show SMILES
COc1ccc(C2CC(=NN2c2ccc(cc2)S(N)(=O)=O)c2cccs2)c(OC)c1OC |c:8|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>230
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
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