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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM119484'   
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))
BDBM119484
PNG
(US8680275, 17 | US8680275, 8)
Show SMILES O=C(N1CCC2CN(C2C1)c1cnc2ccccc2n1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H24N4O/c32-27(22-11-5-4-10-21(22)19-8-2-1-3-9-19)30-15-14-20-17-31(25(20)18-30)26-16-28-23-12-6-7-13-24(23)29-26/h1-13,16,20,25H,14-15,17-18H2
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PC cid
PC sid
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Similars

US Patent
24 -40.4n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US8680275 (2014)


BindingDB Entry DOI: 10.7270/Q2WH2NPF
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM119484
PNG
(US8680275, 17 | US8680275, 8)
Show SMILES O=C(N1CCC2CN(C2C1)c1cnc2ccccc2n1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H24N4O/c32-27(22-11-5-4-10-21(22)19-8-2-1-3-9-19)30-15-14-20-17-31(25(20)18-30)26-16-28-23-12-6-7-13-24(23)29-26/h1-13,16,20,25H,14-15,17-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
305 -34.6n/an/an/an/an/an/a4



Janssen Pharmaceutica NV

US Patent


Assay Description
Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM/F12 (Gibco...


US Patent US8680275 (2014)


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