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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 = 'BDBM50026764'   
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))
BDBM50026764
PNG
(CHEMBL3331509)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C40H57N7O11/c1-6-22(3)33(39(57)42-21-32(51)52)47-40(58)34(23(4)7-2)46-37(55)29(17-18-31(49)50)44-38(56)30(20-25-11-9-8-10-12-25)45-35(53)24(5)43-36(54)28(41)19-26-13-15-27(48)16-14-26/h8-16,22-24,28-30,33-34,48H,6-7,17-21,41H2,1-5H3,(H,42,57)(H,43,54)(H,44,56)(H,45,53)(H,46,55)(H,47,58)(H,49,50)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]Ile5,6deltorphin II from delta opioid receptor in Wistar rat brain membranes by liquid scintillation counting based competition b...


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50026764
PNG
(CHEMBL3331509)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(O)=O |r|
Show InChI InChI=1S/C40H57N7O11/c1-6-22(3)33(39(57)42-21-32(51)52)47-40(58)34(23(4)7-2)46-37(55)29(17-18-31(49)50)44-38(56)30(20-25-11-9-8-10-12-25)45-35(53)24(5)43-36(54)28(41)19-26-13-15-27(48)16-14-26/h8-16,22-24,28-30,33-34,48H,6-7,17-21,41H2,1-5H3,(H,42,57)(H,43,54)(H,44,56)(H,45,53)(H,46,55)(H,47,58)(H,49,50)(H,51,52)/t22-,23-,24-,28-,29-,30-,33-,34-/m0/s1
PDB

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 7.70n/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Agonist activity at mouse delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


ACS Med Chem Lett 5: 1032-6 (2014)


Article DOI: 10.1021/ml500241n
BindingDB Entry DOI: 10.7270/Q23T9JS5
More data for this
Ligand-Target Pair