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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 = 'BDBM50057011'   
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))
BDBM50057011
PNG
((S)-3-[((R)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phe...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@]1(CCc2ccccc2C1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H58N8O10/c1-6-22(3)33(38(57)44-21-31(43)51)48-39(58)34(23(4)7-2)47-37(56)30(19-32(52)53)46-40(59)41(17-16-26-10-8-9-11-27(26)20-41)49-35(54)24(5)45-36(55)29(42)18-25-12-14-28(50)15-13-25/h8-15,22-24,29-30,33-34,50H,6-7,16-21,42H2,1-5H3,(H2,43,51)(H,44,57)(H,45,55)(H,46,59)(H,47,56)(H,48,58)(H,49,54)(H,52,53)/t22-,23-,24+,29-,30-,33-,34-,41+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
660n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured using [3H]- DAGO against Opioid receptor mu 1 of rat brain


J Med Chem 40: 990-5 (1997)


Article DOI: 10.1021/jm9602726
BindingDB Entry DOI: 10.7270/Q2RR1XCH
More data for this
Ligand-Target Pair