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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 = 'BDBM86927'   
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))
BDBM86927
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)CC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1 |TLB:21:22:7.12.13:5.4.18,THB:23:22:7.12.13:5.4.18|
Show InChI InChI=1S/C56H62N2O9/c59-44-24-23-42-29-47-56(61)26-25-43(54-55(56,49(42)50(44)67-54)27-28-58(47)31-37-21-22-37)57-48(60)30-45-51(63-33-39-15-7-2-8-16-39)53(65-35-41-19-11-4-12-20-41)52(64-34-40-17-9-3-10-18-40)46(66-45)36-62-32-38-13-5-1-6-14-38/h1-20,23-24,37,43,45-47,51-54,59,61H,21-22,25-36H2,(H,57,60)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
0.510n/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