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SMILES: Fc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(cc1F)-n1nccn1

InChI Key: InChIKey=HMSWWKWVPAKARQ-MRXNPFEDSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 184099   
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))
BDBM184099
PNG
(US9150566, 137)
Show SMILES Fc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(cc1F)-n1nccn1
Show InChI InChI=1S/C22H18F3N7O2/c23-18-2-1-15(31-26-3-4-27-31)9-14(18)10-16-13-34-8-7-30(16)22(33)17-11-19(24)20(25)12-21(17)32-28-5-6-29-32/h1-6,9,11-12,16H,7-8,10,13H2/t16-/m1/s1
PDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 202n/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/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM184099
PNG
(US9150566, 137)
Show SMILES Fc1cc(C(=O)N2CCOC[C@H]2Cc2cc(ccc2F)-n2nccn2)c(cc1F)-n1nccn1
Show InChI InChI=1S/C22H18F3N7O2/c23-18-2-1-15(31-26-3-4-27-31)9-14(18)10-16-13-34-8-7-30(16)22(33)17-11-19(24)20(25)12-21(17)32-28-5-6-29-32/h1-6,9,11-12,16H,7-8,10,13H2/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 30n/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