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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 = 'BDBM50494228'   
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))
BDBM50494228
PNG
(CHEMBL3217271)
Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)N(C)CC1CC1 |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5|
Show InChI InChI=1S/C29H40N2O.2ClH/c1-22-20-31(15-7-10-23-8-4-3-5-9-23)27-17-26(30(2)21-24-13-14-24)18-29(22,19-27)25-11-6-12-28(32)16-25;;/h3-6,8-9,11-12,16,22,24,26-27,32H,7,10,13-15,17-21H2,1-2H3;2*1H/t22-,26+,27+,29+;;/m1../s1
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PC cid
PC sid
UniChem
Article
PubMed
9n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


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


J Med Chem 56: 8826-33 (2013)


Article DOI: 10.1021/jm401250s
BindingDB Entry DOI: 10.7270/Q2V127SP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50494228
PNG
(CHEMBL3217271)
Show SMILES Cl.Cl.[H][C@]12C[C@@H](C[C@](C1)([C@H](C)CN2CCCc1ccccc1)c1cccc(O)c1)N(C)CC1CC1 |r,TLB:10:9:8:6.4.5,THB:13:12:8:6.4.5|
Show InChI InChI=1S/C29H40N2O.2ClH/c1-22-20-31(15-7-10-23-8-4-3-5-9-23)27-17-26(30(2)21-24-13-14-24)18-29(22,19-27)25-11-6-12-28(32)16-25;;/h3-6,8-9,11-12,16,22,24,26-27,32H,7,10,13-15,17-21H2,1-2H3;2*1H/t22-,26+,27+,29+;;/m1../s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 56: 8826-33 (2013)


Article DOI: 10.1021/jm401250s
BindingDB Entry DOI: 10.7270/Q2V127SP
More data for this
Ligand-Target Pair