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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50261028'   
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))
BDBM50261028
PNG
(CHEMBL3398466)
Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3
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PC cid
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Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant OX2R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular Ca2+ release preincub...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115489
BindingDB Entry DOI: 10.7270/Q2KH0RWT
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50261028
PNG
(CHEMBL3398466)
Show SMILES CCN(CCn1ccc(n1)-c1ccc(F)cn1)C(=O)c1cc(C)ccc1-n1nccn1
Show InChI InChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Chemistry Laboratories, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino-cho, Kita-ku, Saitama 331-9530, Japan. Electronic address: a-futamura@so.taisho.co.jp.

Curated by ChEMBL


Assay Description
Antagonist activity at human OX2R expressed in CHO cells assessed as reduction in [Ala6,12]orexin-A-induced intracellular Ca2+ mobilization incubated...


Bioorg Med Chem 25: 5203-5215 (2017)


Article DOI: 10.1016/j.bmc.2017.07.051
BindingDB Entry DOI: 10.7270/Q2D50QD4
More data for this
Ligand-Target Pair