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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 = 'BDBM119643'   
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))
BDBM119643
PNG
(US8680275, 18 | US8680275, 3)
Show SMILES Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-17-14-18(2)27-25(26-17)29-15-20-12-13-28(16-23(20)29)24(30)22-11-7-6-10-21(22)19-8-4-3-5-9-19/h3-11,14,20,23H,12-13,15-16H2,1-2H3
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PC cid
PC sid
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Similars

US Patent
8 -43.0n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM119643
PNG
(US8680275, 18 | US8680275, 3)
Show SMILES Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H26N4O/c1-17-14-18(2)27-25(26-17)29-15-20-12-13-28(16-23(20)29)24(30)22-11-7-6-10-21(22)19-8-4-3-5-9-19/h3-11,14,20,23H,12-13,15-16H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
763 -32.5n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair