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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 = 'BDBM86945'   
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))
BDBM86945
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1ccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6OC2C3(CCN4CC2CC2)c56)cc1 |TLB:14:13:16.17.33:26.27.28,12:13:16.17.33:26.27.28|
Show InChI InChI=1S/C29H34N2O5/c1-35-20-7-4-17(5-8-20)14-24(33)30-21-10-11-29(34)23-15-19-6-9-22(32)26-25(19)28(29,27(21)36-26)12-13-31(23)16-18-2-3-18/h4-9,18,21,23,27,32,34H,2-3,10-16H2,1H3,(H,30,33)
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PC cid
PC sid
UniChem
Article
PubMed
0.420n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair