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SMILES: CSc1cccc2nc([nH]c12)C1CC(=C)CN1C(=O)c1nc(sc1-c1cccc(C)c1)C1CC1

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 = 335318   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM335318
PNG
(US11040966, Example 6.87 | US9732075, Example 6.87...)
Show SMILES CSc1cccc2nc([nH]c12)C1CC(=C)CN1C(=O)c1nc(sc1-c1cccc(C)c1)C1CC1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)


BindingDB Entry DOI: 10.7270/Q29P33S0
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335318
PNG
(US11040966, Example 6.87 | US9732075, Example 6.87...)
Show SMILES CSc1cccc2nc([nH]c12)C1CC(=C)CN1C(=O)c1nc(sc1-c1cccc(C)c1)C1CC1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM335318
PNG
(US11040966, Example 6.87 | US9732075, Example 6.87...)
Show SMILES CSc1cccc2nc([nH]c12)C1CC(=C)CN1C(=O)c1nc(sc1-c1cccc(C)c1)C1CC1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM335318
PNG
(US11040966, Example 6.87 | US9732075, Example 6.87...)
Show SMILES CSc1cccc2nc([nH]c12)C1CC(=C)CN1C(=O)c1nc(sc1-c1cccc(C)c1)C1CC1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



IDORSIA PHARMACEUTICALS LTD

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9732075 (2017)


BindingDB Entry DOI: 10.7270/Q29P33S0
More data for this
Ligand-Target Pair