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BDBM184001 US9150566, 38

SMILES: Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cccc1)-n1nccn1

InChI Key: InChIKey=HBIJQRRDMMOOSE-JOCHJYFZSA-N

Data: 2 IC50

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 = 184001   
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))
BDBM184001
PNG
(US9150566, 38)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cccc1)-n1nccn1
Show InChI InChI=1S/C25H25N5O2/c1-19-7-8-24(30-26-9-10-27-30)23(15-19)25(31)29-13-14-32-18-22(29)17-20-5-4-6-21(16-20)28-11-2-3-12-28/h2-12,15-16,22H,13-14,17-18H2,1H3/t22-/m1/s1
PDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 131n/an/an/an/an/a37



ACTELION 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 US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM184001
PNG
(US9150566, 38)
Show SMILES Cc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-n1cccc1)-n1nccn1
Show InChI InChI=1S/C25H25N5O2/c1-19-7-8-24(30-26-9-10-27-30)23(15-19)25(31)29-13-14-32-18-22(29)17-20-5-4-6-21(16-20)28-11-2-3-12-28/h2-12,15-16,22H,13-14,17-18H2,1H3/t22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/a37



ACTELION 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 US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair