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SMILES: Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2n1C)-n1nccn1

InChI Key: InChIKey=MDIAYXGXQBIAME-DEOSSOPVSA-N

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 2 hits for monomerid = 335339   
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 receptor type 2


(Homo sapiens (Human))
BDBM335339
PNG
(US11040966, Example 7.3 | US9732075, Example 7.3 |...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2n1C)-n1nccn1
Show InChI InChI=1S/C24H25ClN6O/c1-15-6-8-19(31-26-11-12-27-31)17(14-15)22(32)30-13-5-10-24(30,3)23-28-21-16(2)18(25)7-9-20(21)29(23)4/h6-9,11-12,14H,5,10,13H2,1-4H3/t24-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM335339
PNG
(US11040966, Example 7.3 | US9732075, Example 7.3 |...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCC[C@@]1(C)c1nc2c(C)c(Cl)ccc2n1C)-n1nccn1
Show InChI InChI=1S/C24H25ClN6O/c1-15-6-8-19(31-26-11-12-27-31)17(14-15)22(32)30-13-5-10-24(30,3)23-28-21-16(2)18(25)7-9-20(21)29(23)4/h6-9,11-12,14H,5,10,13H2,1-4H3/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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