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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50233299   
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))
BDBM50233299
PNG
(CHEMBL4079714)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CCCN(C2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-4-6-20(31-26-8-9-27-31)18(11-15)23(32)29-13-16-3-2-10-30(21(16)14-29)24-28-19-12-17(25)5-7-22(19)33-24/h4-9,11-12,16,21H,2-3,10,13-14H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 2 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...


Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM50233299
PNG
(CHEMBL4079714)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CCCN(C2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show InChI InChI=1S/C24H23ClN6O2/c1-15-4-6-20(31-26-8-9-27-31)18(11-15)23(32)29-13-16-3-2-10-30(21(16)14-29)24-28-19-12-17(25)5-7-22(19)33-24/h4-9,11-12,16,21H,2-3,10,13-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human orexin 1 receptor expressed in HEK293 cells assessed as inhibition of orexin-induced calcium mobilization after 60 mins ...


Bioorg Med Chem Lett 27: 1458-1462 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.075
BindingDB Entry DOI: 10.7270/Q2RR21HX
More data for this
Ligand-Target Pair