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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nociceptin/mu opioid receptor' and Ligand = 'BDBM50369309'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50369309
PNG
(CHEMBL2369626)
Show SMILES C[C@@H](O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C57H73N9O20/c1-29(62-52(76)40(58)23-36-14-18-38(71)19-15-36)51(75)64-41(24-35-11-8-7-9-12-35)53(77)61-27-46(74)63-42(25-37-16-20-39(72)21-17-37)56(80)66-22-10-13-43(66)54(78)65-47(55(79)60-26-45(59)73)30(2)82-57-50(85-34(6)70)49(84-33(5)69)48(83-32(4)68)44(86-57)28-81-31(3)67/h7-9,11-12,14-21,29-30,40-44,47-50,57,71-72H,10,13,22-28,58H2,1-6H3,(H2,59,73)(H,60,79)(H,61,77)(H,62,76)(H,63,74)(H,64,75)(H,65,78)/t29-,30-,40+,41+,42+,43+,44+,47+,48+,49-,50+,57+/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.460n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 binding affinity by displacement of radioligand [3H][DAla,MePhe,Gly-ol]enkephalin (DAGO) from rat brain membrane synaptosomes


J Med Chem 40: 2948-52 (1997)


Article DOI: 10.1021/jm970119r
BindingDB Entry DOI: 10.7270/Q2BC406Q
More data for this
Ligand-Target Pair