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BDBM154959 US9000029, 38

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1F

InChI Key: InChIKey=XTNUWCVIXMHRTM-SFHVURJKSA-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 = 154959   
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))
BDBM154959
PNG
(US9000029, 38)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1F
Show InChI InChI=1S/C19H21FN2O4S/c1-13-5-10-16(20)17(12-13)21-19(23)18-4-3-11-22(18)27(24,25)15-8-6-14(26-2)7-9-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)/t18-/m0/s1
PDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 26n/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 US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM154959
PNG
(US9000029, 38)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc(C)ccc1F
Show InChI InChI=1S/C19H21FN2O4S/c1-13-5-10-16(20)17(12-13)21-19(23)18-4-3-11-22(18)27(24,25)15-8-6-14(26-2)7-9-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 304n/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 US9000029 (2015)


BindingDB Entry DOI: 10.7270/Q2BK1B3F
More data for this
Ligand-Target Pair