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Target
Sequence
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IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
COc1ccc(OC)c(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccccc2)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 = 50570991
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))
BDBM50570991
(CHEMBL4878381)
Show SMILES
COc1ccc(OC)c(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c1 |c:11|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
23
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CA9 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 12
(Homo sapiens (Human))
BDBM50570991
(CHEMBL4878381)
Show SMILES
COc1ccc(OC)c(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c1 |c:11|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
55
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CA12 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))
BDBM50570991
(CHEMBL4878381)
Show SMILES
COc1ccc(OC)c(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c1 |c:11|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
446
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 1
(Homo sapiens (Human))
BDBM50570991
(CHEMBL4878381)
Show SMILES
COc1ccc(OC)c(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccccc2)c1 |c:11|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
8.17E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CA1 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
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