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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 = 'BDBM50076001'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50076001
PNG
(3-cyclopropylmethyl-18-methyl-(15S)-13,16-dioxa-3-...)
Show SMILES C[C@@H]1CO[C@@]23CCC4(C[C@H]12)C1Cc2ccc(O)c5O[C@@H]3C4(CCN1CC1CC1)c25 |TLB:24:23:7:28.12.11,17:28:7:23.21.22,THB:6:7:28.12.11:23.21.22|
Show InChI InChI=1S/C25H31NO3/c1-14-13-28-25-7-6-23(11-17(14)25)19-10-16-4-5-18(27)21-20(16)24(23,22(25)29-21)8-9-26(19)12-15-2-3-15/h4-5,14-15,17,19,22,27H,2-3,6-13H2,1H3/t14-,17-,19?,22-,23?,24?,25+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor in guinea pig brain membranes using [3H]- U-69,593 as radioligand


Bioorg Med Chem Lett 9: 831-4 (1999)


BindingDB Entry DOI: 10.7270/Q2FT8MJK
More data for this
Ligand-Target Pair