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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 = 'BDBM119675'   
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))
BDBM119675
PNG
(US8680275, 270)
Show SMILES Cc1nc(nc(C)c1C)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H25N7O/c1-14-15(2)25-22(26-16(14)3)28-12-17-8-11-27(13-20(17)28)21(30)18-6-4-5-7-19(18)29-23-9-10-24-29/h4-7,9-10,17,20H,8,11-13H2,1-3H3/t17-,20-/m0/s1
PDB

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PC cid
PC sid
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Similars

US Patent
16 -41.4n/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))
BDBM119675
PNG
(US8680275, 270)
Show SMILES Cc1nc(nc(C)c1C)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H25N7O/c1-14-15(2)25-22(26-16(14)3)28-12-17-8-11-27(13-20(17)28)21(30)18-6-4-5-7-19(18)29-23-9-10-24-29/h4-7,9-10,17,20H,8,11-13H2,1-3H3/t17-,20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
5.40E+3 -27.9n/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