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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50253158'   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50253158
PNG
(CHEMBL4100943)
Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:3:11:25:15.1,2:1:25:12.13.11,13:14:28.27.26:17.24.18,24:25:15.1:12.13.11,29:28:14:17.24.18,23:24:28.27.26:14,THB:26:25:15.1:12.13.11|
Show InChI InChI=1S/C29H34N2O2/c32-22-9-8-21-14-26-29-11-10-24-27(25(33-29)18-31(24)17-19-4-2-1-3-5-19)28(29,23(21)15-22)12-13-30(26)16-20-6-7-20/h1-5,8-9,15,20,24-27,32H,6-7,10-14,16-18H2/t24?,25-,26?,27?,28?,29?/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.501n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
BindingDB Entry DOI: 10.7270/Q2H134GP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50253158
PNG
(CHEMBL4100943)
Show SMILES [H][C@]12CN(Cc3ccccc3)C3CCC4(O1)C1Cc5ccc(O)cc5C4(CCN1CC1CC1)C23 |r,TLB:3:11:25:15.1,2:1:25:12.13.11,13:14:28.27.26:17.24.18,24:25:15.1:12.13.11,29:28:14:17.24.18,23:24:28.27.26:14,THB:26:25:15.1:12.13.11|
Show InChI InChI=1S/C29H34N2O2/c32-22-9-8-21-14-26-29-11-10-24-27(25(33-29)18-31(24)17-19-4-2-1-3-5-19)28(29,23(21)15-22)12-13-30(26)16-20-6-7-20/h1-5,8-9,15,20,24-27,32H,6-7,10-14,16-18H2/t24?,25-,26?,27?,28?,29?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.670n/an/an/an/a



Laboratory of Medicinal Chemistry, School of Pharmacy, Kitasato University, 5-9-1, Shirokane, Minato-ku, Tokyo 108-8641, Japan; Discovery Research Laboratories, Nippon Chemiphar Co., Ltd., 1-22, Hiko

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by...


Bioorg Med Chem Lett 27: 2742-2745 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.059
BindingDB Entry DOI: 10.7270/Q2H134GP
More data for this
Ligand-Target Pair