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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 = 'BDBM50592811'   
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))
BDBM50592811
PNG
(CHEMBL5170308)
Show SMILES [H][C@@]12CO[C@@]3([H])N1[C@]([H])(O[C@@]3(C)c1cccc(NC(=O)c3ccc(OC)cc3)c1)[C@@](C)(O2)c1cccc(NC(=O)c2ccc(OC)cc2)c1 |r|
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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
2.20n/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
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM50592811
PNG
(CHEMBL5170308)
Show SMILES [H][C@@]12CO[C@@]3([H])N1[C@]([H])(O[C@@]3(C)c1cccc(NC(=O)c3ccc(OC)cc3)c1)[C@@](C)(O2)c1cccc(NC(=O)c2ccc(OC)cc2)c1 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128530
BindingDB Entry DOI: 10.7270/Q28919WZ
More data for this
Ligand-Target Pair