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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 = 'BDBM79847'   
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))
BDBM79847
PNG
(MLS000580072 | N-(9-ethyl-3-carbazolyl)-2,3-dimeth...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)c3cccc(OC)c3OC)ccc12
Show InChI InChI=1S/C23H22N2O3/c1-4-25-19-10-6-5-8-16(19)18-14-15(12-13-20(18)25)24-23(26)17-9-7-11-21(27-2)22(17)28-3/h5-14H,4H2,1-3H3,(H,24,26)
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PC cid
PC sid
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PCBioAssay
n/an/a 1.70E+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/Q2S75DTS
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM79847
PNG
(MLS000580072 | N-(9-ethyl-3-carbazolyl)-2,3-dimeth...)
Show SMILES CCn1c2ccccc2c2cc(NC(=O)c3cccc(OC)c3OC)ccc12
Show InChI InChI=1S/C23H22N2O3/c1-4-25-19-10-6-5-8-16(19)18-14-15(12-13-20(18)25)24-23(26)17-9-7-11-21(27-2)22(17)28-3/h5-14H,4H2,1-3H3,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.08E+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