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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 = 'BDBM50592801'   
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))
BDBM50592801
PNG
(CHEMBL5173055)
Show SMILES [H][C@]12CO[C@]3([H])N1[C@@]([H])(O[C@]3(C)c1cccc(NC(=O)c3ccc(cc3)N(C)C)c1)[C@](C)(O2)c1cccc(NC(=O)c2ccc(cc2)N(C)C)c1 |r|
PDB

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PC cid
PC sid
UniChem
Article
PubMed
3.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114505
BindingDB Entry DOI: 10.7270/Q2WM1JFQ
More data for this
Ligand-Target Pair