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SMILES: C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2ccnn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1

InChI Key: InChIKey=OSHBRXGINANDJA-YLJYHZDGSA-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 = 184102   
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))
BDBM184102
PNG
(US9150566, 140)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2ccnn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-23(32-27-7-8-28-32)21(11-16)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-5-22(18)25)31-10-9-26-29-31/h3-12,17,20H,13-15H2,1-2H3/t17-,20-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

US Patent
n/an/a 1.11E+3n/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))
BDBM184102
PNG
(US9150566, 140)
Show SMILES C[C@@H]1CN([C@H](Cc2cc(ccc2F)-n2ccnn2)CO1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C24H24FN7O2/c1-16-3-6-23(32-27-7-8-28-32)21(11-16)24(33)30-14-17(2)34-15-20(30)13-18-12-19(4-5-22(18)25)31-10-9-26-29-31/h3-12,17,20H,13-15H2,1-2H3/t17-,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 27n/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