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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 = 'BDBM76778'   
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))
BDBM76778
PNG
(10-allyl-2-[2-(2-pyridyl)ethynyl]acridin-9-one | 1...)
Show SMILES C=CCn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccn1
Show InChI InChI=1S/C23H16N2O/c1-2-15-25-21-9-4-3-8-19(21)23(26)20-16-17(11-13-22(20)25)10-12-18-7-5-6-14-24-18/h2-9,11,13-14,16H,1,15H2
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PC cid
PC sid
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PCBioAssay
n/an/a>3.31n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2S75DTS
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM76778
PNG
(10-allyl-2-[2-(2-pyridyl)ethynyl]acridin-9-one | 1...)
Show SMILES C=CCn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccn1
Show InChI InChI=1S/C23H16N2O/c1-2-15-25-21-9-4-3-8-19(21)23(26)20-16-17(11-13-22(20)25)10-12-18-7-5-6-14-24-18/h2-9,11,13-14,16H,1,15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.33E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2WW7G4W
More data for this
Ligand-Target Pair