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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 = 'BDBM50092516'   
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))
BDBM50092516
PNG
(3-{[(Methoxycarbonyl-pyridin-2-yl-methyl)-methyl-a...)
Show SMILES COC(=O)C12CN(C)CC(C(N(C)C1c1ccccn1)c1ccccn1)(C(=O)OC)C2=O |TLB:12:11:30:6.5.8,20:10:30:6.5.8,14:13:30:6.5.8|
Show InChI InChI=1S/C23H26N4O5/c1-26-13-22(20(29)31-3)17(15-9-5-7-11-24-15)27(2)18(16-10-6-8-12-25-16)23(14-26,19(22)28)21(30)32-4/h5-12,17-18H,13-14H2,1-4H3
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PC cid
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15n/an/an/an/an/an/an/an/a



University of Würzburg

Curated by ChEMBL


Assay Description
Inhibition against [3H]-CI 977 rat Opioid receptor kappa 1


J Med Chem 43: 3746-51 (2000)


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