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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 = 'BDBM50194273'   
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))
BDBM50194273
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C26H32N2O/c1-18-24-15-21-10-11-22(25(29)27-16-19-6-4-3-5-7-19)14-23(21)26(18,2)12-13-28(24)17-20-8-9-20/h3-7,10-11,14,18,20,24H,8-9,12-13,15-17H2,1-2H3,(H,27,29)/t18-,24?,26-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


J Med Chem 49: 5635-9 (2006)


Article DOI: 10.1021/jm060278n
BindingDB Entry DOI: 10.7270/Q208663G
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50194273
PNG
((+/-)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-...)
Show SMILES C[C@H]1C2Cc3ccc(cc3[C@@]1(C)CCN2CC1CC1)C(=O)NCc1ccccc1 |r,TLB:8:9:1:14.12.13,15:14:1:4.9.3|
Show InChI InChI=1S/C26H32N2O/c1-18-24-15-21-10-11-22(25(29)27-16-19-6-4-3-5-7-19)14-23(21)26(18,2)12-13-28(24)17-20-8-9-20/h3-7,10-11,14,18,20,24H,8-9,12-13,15-17H2,1-2H3,(H,27,29)/t18-,24?,26-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


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


Bioorg Med Chem 16: 5653-64 (2008)


Article DOI: 10.1016/j.bmc.2008.03.066
BindingDB Entry DOI: 10.7270/Q23X87JZ
More data for this
Ligand-Target Pair