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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50010531'   
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


(MOUSE)
BDBM50010531
PNG
(2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C47H75N15O9/c1-26(2)21-35(39(49)65)61-43(69)34(14-10-20-55-47(52)53)59-42(68)33(13-9-19-54-46(50)51)60-44(70)36(22-27(3)4)62-45(71)37(24-29-11-7-6-8-12-29)58-38(64)25-56-40(66)28(5)57-41(67)32(48)23-30-15-17-31(63)18-16-30/h6-8,11-12,15-18,26-28,32-37,63H,9-10,13-14,19-25,48H2,1-5H3,(H2,49,65)(H,56,66)(H,57,67)(H,58,64)(H,59,68)(H,60,70)(H,61,69)(H,62,71)(H4,50,51,54)(H4,52,53,55)/t28-,32-,33-,34-,35-,36-,37-/m0/s1
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PC sid
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Similars

PubMed
n/an/a 9.10n/an/an/an/an/an/a



Eisai Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Opioid receptor delta 1 of mouse vas deferens (MVD).


J Med Chem 33: 206-12 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3KG6
More data for this
Ligand-Target Pair