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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50451125'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50451125
PNG
(CHEMBL2114982)
Show SMILES COc1ccc2C[C@H](N(Cc2c1)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c1-12-6-16(25)7-13(2)18(12)10-19(23)21(26)24-11-15-8-17(29-3)5-4-14(15)9-20(24)22(27)28/h4-8,19-20,25H,9-11,23H2,1-3H3,(H,27,28)/t19-,20-/m0/s1
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Similars

Article
PubMed
n/an/a 9.44E+3n/an/an/an/an/an/a



AstraZeneca R&D Montréal

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN


Bioorg Med Chem Lett 10: 167-70 (2000)


Article DOI: 10.1016/s0960-894x(99)00652-6
BindingDB Entry DOI: 10.7270/Q2RV0MXM
More data for this
Ligand-Target Pair