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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptor homologue' and Ligand = 'BDBM50233419'   
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
Opioid receptor homologue


(Danio rerio)
BDBM50233419
PNG
(CHEMBL4083712)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(N)=O)O[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C42H60N6O17S/c1-66-12-11-25(47-38(59)24(43)13-21-7-9-22(51)10-8-21)39(60)45-16-30(52)46-26(14-20-5-3-2-4-6-20)40(61)48-17-23(15-27(48)37(44)58)62-41-35(57)33(55)36(29(19-50)64-41)65-42-34(56)32(54)31(53)28(18-49)63-42/h2-10,23-29,31-36,41-42,49-51,53-57H,11-19,43H2,1H3,(H2,44,58)(H,45,60)(H,46,52)(H,47,59)/t23-,24-,25+,26-,27-,28-,29+,31-,32+,33+,34-,35+,36+,41+,42+/m0/s1
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
843n/an/an/an/an/an/an/an/a



Instituto de Qu£mica Avanzada de Catalu£a (IQAC-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from zebrafish delta 1a opioid receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


Bioorg Med Chem 25: 2260-2265 (2017)


Article DOI: 10.1016/j.bmc.2017.02.052
More data for this
Ligand-Target Pair