BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50012601'   
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))
BDBM50012601
PNG
(CHEMBL3260835)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]radioligand from human orexin-2 receptor expressed in CHO cells after 3 hrs by scintillation counting analysis


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))
BDBM50012601
PNG
(CHEMBL3260835)
Show SMILES C[C@@H]1CCN(CCN1C(=O)c1cc(C)ccc1-n1nccn1)c1nc(N)c2c(C)csc2n1 |r|
Show InChI InChI=1S/C23H26N8OS/c1-14-4-5-18(31-25-7-8-26-31)17(12-14)22(32)30-11-10-29(9-6-16(30)3)23-27-20(24)19-15(2)13-33-21(19)28-23/h4-5,7-8,12-13,16H,6,9-11H2,1-3H3,(H2,24,27,28)/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/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