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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 = 'BDBM50248990'   
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))
BDBM50248990
PNG
(14beta-(4-Methylcinnamoyloxy)-N-cyclopropylmethyl-...)
Show SMILES Cc1ccc(\C=C\C(=O)O[C@]23CCC(=O)[C@@H]4Oc5c6c(C[C@H]2N(CC2CC2)CC[C@@]346)ccc5O)cc1 |r|
Show InChI InChI=1S/C30H31NO5/c1-18-2-4-19(5-3-18)8-11-25(34)36-30-13-12-23(33)28-29(30)14-15-31(17-20-6-7-20)24(30)16-21-9-10-22(32)27(35-28)26(21)29/h2-5,8-11,20,24,28,32H,6-7,12-17H2,1H3/b11-8+/t24-,28+,29+,30-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair