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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 = 'BDBM50013621'   
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))
BDBM50013621
PNG
(22-allyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13....)
Show SMILES Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:28:7.12.11,16:17:28:7.12.11|
Show InChI InChI=1S/C25H24N2O3/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21/h2-8,19,23,26,28-29H,1,9-13H2/t19?,23-,24-,25+/m0/s1
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PC cid
PC sid
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Similars

PubMed
1.10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of Opioid receptor mu 1


J Med Chem 33: 1714-20 (1990)


BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50013621
PNG
(22-allyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13....)
Show SMILES Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |TLB:3:4:28:7.12.11,16:17:28:7.12.11|
Show InChI InChI=1S/C25H24N2O3/c1-2-10-27-11-9-24-20-14-7-8-18(28)22(20)30-23(24)21-16(13-25(24,29)19(27)12-14)15-5-3-4-6-17(15)26-21/h2-8,19,23,26,28-29H,1,9-13H2/t19?,23-,24-,25+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
1.10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of opioid receptor delta


J Med Chem 33: 1714-20 (1990)


BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair