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SMILES: Fc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1

InChI Key: InChIKey=TVALGRAHOLPKKR-GOSISDBHSA-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 = 184050   
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))
BDBM184050
PNG
(US9150566, 88)
Show SMILES Fc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C22H19FN6O3/c23-17-4-5-20(29-25-6-7-26-29)19(12-17)22(30)28-8-9-31-13-18(28)11-15-2-1-3-16(10-15)21-24-14-32-27-21/h1-7,10,12,14,18H,8-9,11,13H2/t18-/m1/s1
PDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 893n/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))
BDBM184050
PNG
(US9150566, 88)
Show SMILES Fc1ccc(c(c1)C(=O)N1CCOC[C@H]1Cc1cccc(c1)-c1ncon1)-n1nccn1
Show InChI InChI=1S/C22H19FN6O3/c23-17-4-5-20(29-25-6-7-26-29)19(12-17)22(30)28-8-9-31-13-18(28)11-15-2-1-3-16(10-15)21-24-14-32-27-21/h1-7,10,12,14,18H,8-9,11,13H2/t18-/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