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Target
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IC50
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EC50
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null
SMILES:
COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(N(C)C(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(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
4
hits for monomerid = 50596324
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
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human))
BDBM50596324
(CHEMBL5179969)
Show SMILES
COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(N(C)C(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(C)C
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128530
BindingDB Entry DOI:
10.7270/Q28919WZ
More data for this
Ligand-Target Pair
Orexin receptor type 2
(Homo sapiens (Human))
BDBM50596324
(CHEMBL5179969)
Show SMILES
COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(N(C)C(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(C)C
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.95E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128555
BindingDB Entry DOI:
10.7270/Q23J3J0T
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1
(Homo sapiens (Human))
BDBM50596324
(CHEMBL5179969)
Show SMILES
COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(N(C)C(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(C)C
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128555
BindingDB Entry DOI:
10.7270/Q23J3J0T
More data for this
Ligand-Target Pair
Orexin receptor type 2
(Homo sapiens (Human))
BDBM50596324
(CHEMBL5179969)
Show SMILES
COc1ccc(cc1S(=O)(=O)Nc1ccc2cccc(N(C)C(=O)c3ccccc3)c2c1)-c1cccc(c1)C(=O)N(C)C
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.95E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.128530
BindingDB Entry DOI:
10.7270/Q28919WZ
More data for this
Ligand-Target Pair
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