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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 = 'BDBM50096715'   
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))
BDBM50096715
PNG
((S)-2-[(S)-2-(2-{(S)-2-[(S)-3-(4-Hydroxy-2,6-dimet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](C)Cc1c(C)cc(O)cc1C)C(N)=O
Show InChI InChI=1S/C32H45N5O6/c1-18(2)12-26(29(33)40)37-32(43)27(16-23-10-8-7-9-11-23)36-28(39)17-34-31(42)22(6)35-30(41)21(5)15-25-19(3)13-24(38)14-20(25)4/h7-11,13-14,18,21-22,26-27,38H,12,15-17H2,1-6H3,(H2,33,40)(H,34,42)(H,35,41)(H,36,39)(H,37,43)/t21-,22-,26-,27-/m0/s1
PDB

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PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Tested for binding affinity towards Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 323-5 (2001)


BindingDB Entry DOI: 10.7270/Q290231V
More data for this
Ligand-Target Pair