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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50028039   
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 receptor type 2


(Homo sapiens (Human))
BDBM50028039
PNG
(CHEMBL3338864)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2cnn(C)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C24H24N6O3/c1-15-7-16(10-25-9-15)21-8-19(20(13-26-21)17-11-28-30(2)14-17)23(31)27-12-18-5-6-22(32-3)24(29-18)33-4/h5-11,13-14H,12H2,1-4H3,(H,27,31)
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Similars

Article
PubMed
4.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of (S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R ex...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM50028039
PNG
(CHEMBL3338864)
Show SMILES COc1ccc(CNC(=O)c2cc(ncc2-c2cnn(C)c2)-c2cncc(C)c2)nc1OC
Show InChI InChI=1S/C24H24N6O3/c1-15-7-16(10-25-9-15)21-8-19(20(13-26-21)17-11-28-30(2)14-17)23(31)27-12-18-5-6-22(32-3)24(29-18)33-4/h5-11,13-14H,12H2,1-4H3,(H,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
930n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of N-cyclobutyl-5-methyl-N-(2-([3H]-1-methyl-1H-benzo[d]imidazol-2-ylthio)ethyl)-2-(2H-1,2,3-triazol-2-yl)benzamide from human OX1R I408...


Bioorg Med Chem Lett 24: 4884-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.041
BindingDB Entry DOI: 10.7270/Q2GX4D4J
More data for this
Ligand-Target Pair