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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 = 'BDBM50207835'   
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))
BDBM50207835
PNG
(CHEMBL246479 | H-Aba-ser-Gly-Phe-Leu-Thr-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C34H46N8O9S/c1-17(2)11-23(32(49)42-28(18(3)44)33(50)51)39-31(48)24(13-19-7-5-4-6-8-19)38-27(45)15-37-30(47)25(16-43)40-29(46)21(35)12-20-9-10-22-26(14-20)52-34(36)41-22/h4-10,14,17-18,21,23-25,28,43-44H,11-13,15-16,35H2,1-3H3,(H2,36,41)(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,42,49)(H,50,51)/t18-,21+,23+,24+,25+,28+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta opioid receptor


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50207835
PNG
(CHEMBL246479 | H-Aba-ser-Gly-Phe-Leu-Thr-OH)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc2nc(N)sc2c1)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C34H46N8O9S/c1-17(2)11-23(32(49)42-28(18(3)44)33(50)51)39-31(48)24(13-19-7-5-4-6-8-19)38-27(45)15-37-30(47)25(16-43)40-29(46)21(35)12-20-9-10-22-26(14-20)52-34(36)41-22/h4-10,14,17-18,21,23-25,28,43-44H,11-13,15-16,35H2,1-3H3,(H2,36,41)(H,37,47)(H,38,45)(H,39,48)(H,40,46)(H,42,49)(H,50,51)/t18-,21+,23+,24+,25+,28+/m1/s1
PDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 97n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human cloned delta opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 2656-60 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.092
BindingDB Entry DOI: 10.7270/Q27S7NGH
More data for this
Ligand-Target Pair