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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 = 'BDBM86923'   
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))
BDBM86923
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES COc1cccc(CC(=O)NC2CCC3(O)C4Cc5ccc(O)c6OC2C3(CCN4CC2CC2)c56)c1 |TLB:15:14:17.18.34:27.28.29,13:14:17.18.34:27.28.29|
Show InChI InChI=1S/C29H34N2O5/c1-35-20-4-2-3-18(13-20)14-24(33)30-21-9-10-29(34)23-15-19-7-8-22(32)26-25(19)28(29,27(21)36-26)11-12-31(23)16-17-5-6-17/h2-4,7-8,13,17,21,23,27,32,34H,5-6,9-12,14-16H2,1H3,(H,30,33)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
0.450n/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