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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 79850   
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))
BDBM79850
PNG
((fluoren-9-ylideneamino) 3,4-dimethoxybenzoate | 3...)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6])-[#6](=O)-[#8]\[#7]=[#6]-1/c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C22H17NO4/c1-25-19-12-11-14(13-20(19)26-2)22(24)27-23-21-17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-13H,1-2H3
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 767n/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
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM79850
PNG
((fluoren-9-ylideneamino) 3,4-dimethoxybenzoate | 3...)
Show SMILES [#6]-[#8]-c1ccc(cc1-[#8]-[#6])-[#6](=O)-[#8]\[#7]=[#6]-1/c2ccccc2-c2ccccc-12
Show InChI InChI=1S/C22H17NO4/c1-25-19-12-11-14(13-20(19)26-2)22(24)27-23-21-17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-13H,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.24E+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