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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:
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
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
6
hits for monomerid = 50549530
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
Type-2 angiotensin II receptor
(Homo sapiens (Human))
BDBM50549530
(CHEMBL4788892)
Show SMILES
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
9.30
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.bmc.2020.115859
BindingDB Entry DOI:
10.7270/Q2BR8WRZ
More data for this
Ligand-Target Pair
Type-1 angiotensin II receptor
(Homo sapiens (Human))
BDBM50549530
(CHEMBL4788892)
Show SMILES
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+3
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.bmc.2020.115859
BindingDB Entry DOI:
10.7270/Q2BR8WRZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50549530
(CHEMBL4788892)
Show SMILES
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115859
BindingDB Entry DOI:
10.7270/Q2BR8WRZ
More data for this
Ligand-Target Pair
Cytochrome P450 2D6
(Homo sapiens (Human))
BDBM50549530
(CHEMBL4788892)
Show SMILES
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115859
BindingDB Entry DOI:
10.7270/Q2BR8WRZ
More data for this
Ligand-Target Pair
Cytochrome P450 2B6
(Homo sapiens (Human))
BDBM50549530
(CHEMBL4788892)
Show SMILES
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115859
BindingDB Entry DOI:
10.7270/Q2BR8WRZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50549530
(CHEMBL4788892)
Show SMILES
COC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(c1)C(=O)Cn1ccnc1C(C)(C)C
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.50E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmc.2020.115859
BindingDB Entry DOI:
10.7270/Q2BR8WRZ
More data for this
Ligand-Target Pair
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