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BDBM386188 (2R,3S)-N-ethyl-2-(((cis-4-(3- fluorophenyl)cyclohexyl)oxy)- methyl)-3- ((methylsulfonyl)amino)piperidine- 1-carboxamide::US10287305, Example 148::US10508083, Example 148

SMILES: CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1

InChI Key: InChIKey=XPBLUJNQFJFGNE-CZGNIMDHSA-N

Data: 2 EC50

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 = 386188   
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))
BDBM386188
PNG
((2R,3S)-N-ethyl-2-(((cis-4-(3- fluorophenyl)cycloh...)
Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:21.25,18.18,15.16,9.9,(-2.67,-4.23,;-1.33,-5,;,-4.23,;1.33,-5,;1.33,-6.54,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;4,-.38,;5.33,.38,;6.67,-.38,;4.56,1.72,;6.1,1.72,;2.67,-2.69,;1.33,-1.93,;1.33,-.38,;,.38,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,)|
Show InChI InChI=1S/C22H34FN3O4S/c1-3-24-22(27)26-13-5-8-20(25-31(2,28)29)21(26)15-30-19-11-9-16(10-12-19)17-6-4-7-18(23)14-17/h4,6-7,14,16,19-21,25H,3,5,8-13,15H2,1-2H3,(H,24,27)/t16-,19+,20-,21-/m0/s1
PDB

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PC cid
PC sid
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US Patent
n/an/an/an/a 0.0530n/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...


US Patent US10508083 (2019)


BindingDB Entry DOI: 10.7270/Q29S1TD1
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM386188
PNG
((2R,3S)-N-ethyl-2-(((cis-4-(3- fluorophenyl)cycloh...)
Show SMILES CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1CO[C@H]1CC[C@H](CC1)c1cccc(F)c1 |r,wU:21.25,18.18,15.16,9.9,(-2.67,-4.23,;-1.33,-5,;,-4.23,;1.33,-5,;1.33,-6.54,;2.67,-4.23,;4,-5,;5.33,-4.23,;5.33,-2.69,;4,-1.93,;4,-.38,;5.33,.38,;6.67,-.38,;4.56,1.72,;6.1,1.72,;2.67,-2.69,;1.33,-1.93,;1.33,-.38,;,.38,;-1.33,-.38,;-2.67,.38,;-2.67,1.93,;-1.33,2.69,;,1.93,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-6.67,4.23,;-5.33,5,;-5.33,6.54,;-4,4.23,)|
Show InChI InChI=1S/C22H34FN3O4S/c1-3-24-22(27)26-13-5-8-20(25-31(2,28)29)21(26)15-30-19-11-9-16(10-12-19)17-6-4-7-18(23)14-17/h4,6-7,14,16,19-21,25H,3,5,8-13,15H2,1-2H3,(H,24,27)/t16-,19+,20-,21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.0530n/an/an/an/a



AstraZeneca



Assay Description
Chinese hamster ovary (CHO) dhfr-cells forcibly expressing human orexin type 2 receptor (hOX2R) were seeded in each well of Black clear bottom plate ...


J Med Chem 50: 2213-24 (2007)


BindingDB Entry DOI: 10.7270/Q2Z321Z2
More data for this
Ligand-Target Pair