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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu/kappa/delta' and Ligand = 'BDBM50292922'   
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 receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50292922
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5r-epoxy...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccnc1 |r|
Show InChI InChI=1S/C26H29N3O4/c30-19-6-5-16-12-20-26(32)8-7-18(28-24(31)17-2-1-10-27-13-17)23-25(26,21(16)22(19)33-23)9-11-29(20)14-15-3-4-15/h1-2,5-6,10,13,15,18,20,23,30,32H,3-4,7-9,11-12,14H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
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PC cid
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Article
PubMed
5.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]norBNI from monocloned kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1416-27 (2010)


Article DOI: 10.1021/jm801272c
BindingDB Entry DOI: 10.7270/Q2416XZ6
More data for this
Ligand-Target Pair