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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 = 'BDBM315089'   
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))
BDBM315089
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...)
Show SMILES Clc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12|
Show InChI InChI=1S/C21H20ClN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2
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US Patent
200n/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
Orexin receptor type 2


(Homo sapiens (Human))
BDBM315089
PNG
((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4R,6R)-6-((5...)
Show SMILES Clc1ccc(OC2CC3CCC2N(C3)C(=O)c2ccccc2-n2nccn2)nc1 |TLB:14:12:6.7:9.10,THB:5:6:9.10:13.12|
Show InChI InChI=1S/C21H20ClN5O2/c22-15-6-8-20(23-12-15)29-19-11-14-5-7-18(19)26(13-14)21(28)16-3-1-2-4-17(16)27-24-9-10-25-27/h1-4,6,8-10,12,14,18-19H,5,7,11,13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
200n/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