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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM314639'   
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/Hypocretin receptor type 1


(Rattus norvegicus (Rat))
BDBM314639
PNG
(US9611262, Example 173 | [2-(6-fluoro-2-pyridyl)ph...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1cccc(F)n1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C25H21F4N3O2/c1-14-15-11-20(21(12-15)34-23-10-9-16(13-30-23)25(27,28)29)32(14)24(33)18-6-3-2-5-17(18)19-7-4-8-22(26)31-19/h2-10,13-15,20-21H,11-12H2,1H3
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PC cid
PC sid
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US Patent
3n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...


US Patent US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM314639
PNG
(US9611262, Example 173 | [2-(6-fluoro-2-pyridyl)ph...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1cccc(F)n1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C25H21F4N3O2/c1-14-15-11-20(21(12-15)34-23-10-9-16(13-30-23)25(27,28)29)32(14)24(33)18-6-3-2-5-17(18)19-7-4-8-22(26)31-19/h2-10,13-15,20-21H,11-12H2,1H3
PDB

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5n/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 US9611262 (2017)


BindingDB Entry DOI: 10.7270/Q2WS8WBW
More data for this
Ligand-Target Pair