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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50012600   
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))
BDBM50012600
PNG
(CHEMBL3260834)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-7-10-28(22-26-19(23)17-13-15(2)32-20(17)27-22)11-12-29(14)21(31)16-5-3-4-6-18(16)30-24-8-9-25-30/h3-6,8-9,13-14H,7,10-12H2,1-2H3,(H2,23,26,27)/t14-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-1 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay


Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50012600
PNG
(CHEMBL3260834)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1ccccc1-n1nccn1)c1nc(N)c2cc(C)sc2n1 |r|
Show InChI InChI=1S/C22H24N8OS/c1-14-7-10-28(22-26-19(23)17-13-15(2)32-20(17)27-22)11-12-29(14)21(31)16-5-3-4-6-18(16)30-24-8-9-25-30/h3-6,8-9,13-14H,7,10-12H2,1-2H3,(H2,23,26,27)/t14-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin-2 receptor expressed in CHO cells assessed as inhibition of Ala-6, 12-induced responses by FLIPR assay


Bioorg Med Chem Lett 24: 2079-85 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.052
BindingDB Entry DOI: 10.7270/Q2MW2JPH
More data for this
Ligand-Target Pair