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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 = 'BDBM50224877'   
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))
BDBM50224877
PNG
((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(Br)cc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
Show InChI InChI=1S/C27H33BrN2O/c1-18-25-16-21-7-8-22(26(31)29-13-11-19-5-9-23(28)10-6-19)15-24(21)27(18,2)12-14-30(25)17-20-3-4-20/h5-10,15,18,20,25H,3-4,11-14,16-17H2,1-2H3,(H,29,31)/t18-,25?,27-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 6516-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.082
BindingDB Entry DOI: 10.7270/Q21R6RCT
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50224877
PNG
((6S,11R)-3-cyclopropylmethyl-6,11-dimethyl-1,2,3,4...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(Br)cc1 |w:2.2,TLB:8:9:1:14.13.12,15:14:1:4.9.3|
Show InChI InChI=1S/C27H33BrN2O/c1-18-25-16-21-7-8-22(26(31)29-13-11-19-5-9-23(28)10-6-19)15-24(21)27(18,2)12-14-30(25)17-20-3-4-20/h5-10,15,18,20,25H,3-4,11-14,16-17H2,1-2H3,(H,29,31)/t18-,25?,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cell membrane by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 17: 6516-20 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.082
BindingDB Entry DOI: 10.7270/Q21R6RCT
More data for this
Ligand-Target Pair