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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50205834'   
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


(Rattus norvegicus (rat))
BDBM50205834
PNG
(CHEMBL220333 | CHEMBL223244 | H-Tyr-c[D-Allylgly-G...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |w:15.15|
Show InChI InChI=1S/C28H34N6O6/c29-20(14-18-10-12-19(35)13-11-18)26(38)34-22-9-5-4-8-21(25(30)37)33-28(40)23(15-17-6-2-1-3-7-17)32-24(36)16-31-27(22)39/h1-7,10-13,20-23,35H,8-9,14-16,29H2,(H2,30,37)(H,31,39)(H,32,36)(H,33,40)(H,34,38)/t20-,21-,22+,23-/m0/s1
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PC cid
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Article
PubMed
1.25n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from rat brain delta opioid receptor


J Med Chem 50: 1414-7 (2007)


Article DOI: 10.1021/jm061294n
BindingDB Entry DOI: 10.7270/Q22F7N41
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50205834
PNG
(CHEMBL220333 | CHEMBL223244 | H-Tyr-c[D-Allylgly-G...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |w:15.15|
Show InChI InChI=1S/C28H34N6O6/c29-20(14-18-10-12-19(35)13-11-18)26(38)34-22-9-5-4-8-21(25(30)37)33-28(40)23(15-17-6-2-1-3-7-17)32-24(36)16-31-27(22)39/h1-7,10-13,20-23,35H,8-9,14-16,29H2,(H2,30,37)(H,31,39)(H,32,36)(H,33,40)(H,34,38)/t20-,21-,22+,23-/m0/s1
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Article
PubMed
6.55n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from rat brain delta opioid receptor


J Med Chem 50: 1414-7 (2007)


Article DOI: 10.1021/jm061294n
BindingDB Entry DOI: 10.7270/Q22F7N41
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50205834
PNG
(CHEMBL220333 | CHEMBL223244 | H-Tyr-c[D-Allylgly-G...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |w:15.15|
Show InChI InChI=1S/C28H34N6O6/c29-20(14-18-10-12-19(35)13-11-18)26(38)34-22-9-5-4-8-21(25(30)37)33-28(40)23(15-17-6-2-1-3-7-17)32-24(36)16-31-27(22)39/h1-7,10-13,20-23,35H,8-9,14-16,29H2,(H2,30,37)(H,31,39)(H,32,36)(H,33,40)(H,34,38)/t20-,21-,22+,23-/m0/s1
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Article
PubMed
n/an/a 0.275n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens


J Med Chem 50: 1414-7 (2007)


Article DOI: 10.1021/jm061294n
BindingDB Entry DOI: 10.7270/Q22F7N41
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50205834
PNG
(CHEMBL220333 | CHEMBL223244 | H-Tyr-c[D-Allylgly-G...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CC=CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O)C(N)=O |w:15.15|
Show InChI InChI=1S/C28H34N6O6/c29-20(14-18-10-12-19(35)13-11-18)26(38)34-22-9-5-4-8-21(25(30)37)33-28(40)23(15-17-6-2-1-3-7-17)32-24(36)16-31-27(22)39/h1-7,10-13,20-23,35H,8-9,14-16,29H2,(H2,30,37)(H,31,39)(H,32,36)(H,33,40)(H,34,38)/t20-,21-,22+,23-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.496n/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens


J Med Chem 50: 1414-7 (2007)


Article DOI: 10.1021/jm061294n
BindingDB Entry DOI: 10.7270/Q22F7N41
More data for this
Ligand-Target Pair