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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 = 'BDBM50085027'   
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))
BDBM50085027
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor delta 1 from guinea pig brain using [3H]naltrindole as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50085027
PNG
((6S,11R)-3-Cyclopropylmethyl-6,11-dimethyl-8-morph...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)N1CCOCC1 |TLB:8:9:1:14.12.13,15:14:1:9.4.3|
Show InChI InChI=1S/C22H32N2O/c1-16-21-13-18-5-6-19(23-9-11-25-12-10-23)14-20(18)22(16,2)7-8-24(21)15-17-3-4-17/h5-6,14,16-17,21H,3-4,7-13,15H2,1-2H3/t16-,21?,22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Binding affinity was determined against Opioid receptor delta 1 obtained from guinea pig brain membranes using [3H]naltrindole as radioligand


Bioorg Med Chem Lett 10: 183-7 (2000)


BindingDB Entry DOI: 10.7270/Q2571CH7
More data for this
Ligand-Target Pair