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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 = 'BDBM50369310'   
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))
BDBM50369310
PNG
(CHEMBL1790778)
Show SMILES C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[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/C49H65N9O16/c1-25(54-44(68)32(50)19-28-10-14-30(60)15-11-28)43(67)56-33(20-27-7-4-3-5-8-27)45(69)53-23-38(63)55-34(21-29-12-16-31(61)17-13-29)48(72)58-18-6-9-35(58)46(70)57-39(47(71)52-22-37(51)62)26(2)73-49-42(66)41(65)40(64)36(24-59)74-49/h3-5,7-8,10-17,25-26,32-36,39-42,49,59-61,64-66H,6,9,18-24,50H2,1-2H3,(H2,51,62)(H,52,71)(H,53,69)(H,54,68)(H,55,63)(H,56,67)(H,57,70)/t25-,26+,32+,33+,34+,35+,36+,39+,40+,41-,42+,49+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.290n/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