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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptor' and Ligand = 'BDBM50001847'   
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


(Rattus norvegicus (rat))
BDBM50001847
PNG
(2-Amino-N-[2-tert-butoxy-1-(3-phenyl-propoxymethyl...)
Show SMILES Cc1cc(O)cc(C)c1CC(N)C(=O)N[C@@H](COCCCc1ccccc1)COC(C)(C)C
Show InChI InChI=1S/C27H40N2O4/c1-19-14-23(30)15-20(2)24(19)16-25(28)26(31)29-22(18-33-27(3,4)5)17-32-13-9-12-21-10-7-6-8-11-21/h6-8,10-11,14-15,22,25,30H,9,12-13,16-18,28H2,1-5H3,(H,29,31)/t22-,25?/m0/s1
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Similars

Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



G. D. Searle and Company

Curated by ChEMBL


Assay Description
Binding ability towards opioid receptor kappa expressed in homogenates of rat brain.


J Med Chem 35: 223-33 (1992)


Article DOI: 10.1021/jm00080a005
BindingDB Entry DOI: 10.7270/Q26T0KKD
More data for this
Ligand-Target Pair