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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM314987'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314987
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Nc3ccc(Br)cn3)C1C2 |TLB:20:19:15.16:29,13:15:19.18:29|
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)20-15(3-1-4-16(20)24)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
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PC cid
PC sid
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US Patent
351n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...


US Patent US9611277 (2017)


BindingDB Entry DOI: 10.7270/Q24B33D2
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM314987
PNG
(((1S,4S,6R)-6-((5-bromopyridin-2-yl)amino)-2-azabi...)
Show SMILES Fc1cccc(-c2ncccn2)c1C(=O)N1CC2CC(Nc3ccc(Br)cn3)C1C2 |TLB:20:19:15.16:29,13:15:19.18:29|
Show InChI InChI=1S/C22H19BrFN5O/c23-14-5-6-19(27-11-14)28-17-9-13-10-18(17)29(12-13)22(30)20-15(3-1-4-16(20)24)21-25-7-2-8-26-21/h1-8,11,13,17-18H,9-10,12H2,(H,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
351n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1× pen-strep...


US Patent US10183953 (2019)


BindingDB Entry DOI: 10.7270/Q2Z60R5Q
More data for this
Ligand-Target Pair