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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 = 'BDBM50130605'   
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))
BDBM50130605
PNG
(13,22-dimethyl-2-(3-methyl-2-butenyl)-14-oxa-11,22...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(CC=C(C)C)C1Cc4ccc5O |wU:20.24,8.9,wD:4.4,TLB:29:28:20:1.3.2,6:5:20:1.3.2,(9.18,1.42,;7.96,.48,;6.47,.09,;6.12,-2.18,;6.89,-3.51,;5.37,-3.34,;4.44,-4.57,;5.89,-5.72,;7.52,-4.93,;7.51,-6.47,;9.05,-5.09,;9.95,-6.35,;11.42,-5.86,;12.75,-6.65,;14.09,-5.88,;14.09,-4.32,;12.76,-3.55,;11.43,-4.32,;9.96,-3.85,;9.34,-2.43,;7.82,-2.27,;8.9,-1.17,;10.39,-1.55,;11.46,-.45,;12.96,-.85,;11.06,1.03,;7.21,-.86,;5.68,-.68,;4.76,-1.92,;3.23,-1.75,;2.31,-2.99,;2.92,-4.39,;2.01,-5.63,)|
Show InChI InChI=1S/C29H32N2O2/c1-17(2)11-12-28-16-20-19-7-5-6-8-21(19)30-26(20)27(3)29(28)13-14-31(4)23(28)15-18-9-10-22(32)25(33-27)24(18)29/h5-11,23,30,32H,12-16H2,1-4H3/t23?,27-,28-,29-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
51n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50130605
PNG
(13,22-dimethyl-2-(3-methyl-2-butenyl)-14-oxa-11,22...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(CC=C(C)C)C1Cc4ccc5O |wU:20.24,8.9,wD:4.4,TLB:29:28:20:1.3.2,6:5:20:1.3.2,(9.18,1.42,;7.96,.48,;6.47,.09,;6.12,-2.18,;6.89,-3.51,;5.37,-3.34,;4.44,-4.57,;5.89,-5.72,;7.52,-4.93,;7.51,-6.47,;9.05,-5.09,;9.95,-6.35,;11.42,-5.86,;12.75,-6.65,;14.09,-5.88,;14.09,-4.32,;12.76,-3.55,;11.43,-4.32,;9.96,-3.85,;9.34,-2.43,;7.82,-2.27,;8.9,-1.17,;10.39,-1.55,;11.46,-.45,;12.96,-.85,;11.06,1.03,;7.21,-.86,;5.68,-.68,;4.76,-1.92,;3.23,-1.75,;2.31,-2.99,;2.92,-4.39,;2.01,-5.63,)|
Show InChI InChI=1S/C29H32N2O2/c1-17(2)11-12-28-16-20-19-7-5-6-8-21(19)30-26(20)27(3)29(28)13-14-31(4)23(28)15-18-9-10-22(32)25(33-27)24(18)29/h5-11,23,30,32H,12-16H2,1-4H3/t23?,27-,28-,29-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 90n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor delta 1


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair