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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Orexin receptor type 1' and Ligand = 'BDBM335162'   
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 1


(Homo sapiens (Human))
BDBM335162
PNG
(US9732075, Example 6.122 | [(S)-2-(6-Chloro-7-meth...)
Show SMILES Cc1nc(C(=O)N2CC(=C)C[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)c(s1)-c1cccc(C)c1
Show InChI InChI=1S/C25H23ClN4OS/c1-13-6-5-7-17(10-13)23-22(27-16(4)32-23)25(31)30-12-14(2)11-20(30)24-28-19-9-8-18(26)15(3)21(19)29-24/h5-10,20H,2,11-12H2,1,3-4H3,(H,28,29)/t20-/m0/s1
PDB

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PC cid
PC sid
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US Patent
n/an/a 0.900n/an/an/an/an/an/a



IDORSIA 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 US9732075 (2017)

More data for this
Ligand-Target Pair