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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 = 'BDBM50108789'   
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))
BDBM50108789
PNG
(7-benzyl-18-cyclopropylmethyl-5-(4-methylphenyl)-1...)
Show SMILES Cc1ccc(cc1)-c1cn(Cc2ccccc2)c2[C@@H]3Oc4c5c(CC6N(CC7CC7)CC[C@@]35[C@@]6(O)Cc12)ccc4O |TLB:37:22:33:25.31.30,20:21:33:25.31.30|
Show InChI InChI=1S/C36H36N2O3/c1-22-7-11-25(12-8-22)28-21-38(20-23-5-3-2-4-6-23)32-27(28)18-36(40)30-17-26-13-14-29(39)33-31(26)35(36,34(32)41-33)15-16-37(30)19-24-9-10-24/h2-8,11-14,21,24,30,34,39-40H,9-10,15-20H2,1H3/t30?,34-,35-,36+/m0/s1
PDB

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PC cid
PC sid
UniChem
PubMed
108n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human Opioid receptor kappa 1 transfected in to CHO cells for the displacement of [3H]U-69593


J Med Chem 45: 537-40 (2002)


BindingDB Entry DOI: 10.7270/Q2668DXN
More data for this
Ligand-Target Pair