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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 = 'BDBM314464'   
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))
BDBM314464
PNG
((5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H19F4N5O2/c1-12-13-8-18(19(9-13)33-20-5-2-14(11-27-20)22(24,25)26)30(12)21(32)16-10-15(23)3-4-17(16)31-28-6-7-29-31/h2-7,10-13,18-19H,8-9H2,1H3
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US Patent
5n/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))
BDBM314464
PNG
((5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S*,3R...)
Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1cc(F)ccc1-n1nccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17|
Show InChI InChI=1S/C22H19F4N5O2/c1-12-13-8-18(19(9-13)33-20-5-2-14(11-27-20)22(24,25)26)30(12)21(32)16-10-15(23)3-4-17(16)31-28-6-7-29-31/h2-7,10-13,18-19H,8-9H2,1H3
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PC cid
PC sid
UniChem
US Patent
14n/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