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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 = 'BDBM79941'   
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))
BDBM79941
PNG
(10-methyl-2-(2-pyridin-2-ylethynyl)acridin-9-one |...)
Show SMILES Cn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccn1
Show InChI InChI=1S/C21H14N2O/c1-23-19-8-3-2-7-17(19)21(24)18-14-15(10-12-20(18)23)9-11-16-6-4-5-13-22-16/h2-8,10,12-14H,1H3
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PC sid
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n/an/a 413n/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))
BDBM79941
PNG
(10-methyl-2-(2-pyridin-2-ylethynyl)acridin-9-one |...)
Show SMILES Cn1c2ccccc2c(=O)c2cc(ccc12)C#Cc1ccccn1
Show InChI InChI=1S/C21H14N2O/c1-23-19-8-3-2-7-17(19)21(24)18-14-15(10-12-20(18)23)9-11-16-6-4-5-13-22-16/h2-8,10,12-14H,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.91E+3n/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