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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 = 'BDBM50154208'   
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))
BDBM50154208
PNG
(7-(Bis-cyclopropylmethyl-amino)-8,8-dimethyl-5,6,7...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)N(CC1CC1)CC1CC1
Show InChI InChI=1S/C20H29NO/c1-20(2)18-11-17(22)9-7-16(18)8-10-19(20)21(12-14-3-4-14)13-15-5-6-15/h7,9,11,14-15,19,22H,3-6,8,10,12-13H2,1-2H3
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.83E+3n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 47: 5069-75 (2004)


Article DOI: 10.1021/jm040807s
BindingDB Entry DOI: 10.7270/Q2S46SQB
More data for this
Ligand-Target Pair