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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 = 'BDBM50092519'   
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))
BDBM50092519
PNG
(3-{[(Methoxycarbonyl-quinolin-2-yl-methyl)-methyl-...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1ccc3ccccc3n1)c1ccc3ccccc3n1)(C(=O)OC)C2=O |TLB:12:11:38:6.8.5,14:13:38:6.8.5,24:10:38:6.8.5|
Show InChI InChI=1S/C31H30N4O5/c1-34-17-30(28(37)39-3)25(23-15-13-19-9-5-7-11-21(19)32-23)35(2)26(31(18-34,27(30)36)29(38)40-4)24-16-14-20-10-6-8-12-22(20)33-24/h5-16,25-26H,17-18H2,1-4H3
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PC cid
PC sid
UniChem
PubMed
190n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-diprenorphine human Opioid receptor kappa 1


J Med Chem 43: 3746-51 (2000)


BindingDB Entry DOI: 10.7270/Q2H41QPP
More data for this
Ligand-Target Pair