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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM183981'   
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


(Homo sapiens (Human))
BDBM183981
PNG
(US9150566, 18)
Show SMILES O=C(N1CCOC[C@H]1Cc1cccc(c1)-c1ncccn1)c1ccccc1-n1nccn1
Show InChI InChI=1S/C24H22N6O2/c31-24(21-7-1-2-8-22(21)30-27-11-12-28-30)29-13-14-32-17-20(29)16-18-5-3-6-19(15-18)23-25-9-4-10-26-23/h1-12,15,20H,13-14,16-17H2/t20-/m1/s1
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Similars

US Patent
n/an/a 22n/an/an/an/an/a37



ACTELION PHARMACEUTICALS LTD.

US Patent


Assay Description
Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 receptor, respectively, are grown in culture medium (...


US Patent US9150566 (2015)


BindingDB Entry DOI: 10.7270/Q2M32TJ3
More data for this
Ligand-Target Pair