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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 = 'BDBM50123998'   
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))
BDBM50123998
PNG
((3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hex...)
Show SMILES COc1ccccc1Nc1ccc2CC3[C@H](C)[C@](C)(CCN3CC3CC3)c2c1 |TLB:22:21:15:26.12.13,27:26:15:21.19.20|
Show InChI InChI=1S/C25H32N2O/c1-17-23-14-19-10-11-20(26-22-6-4-5-7-24(22)28-3)15-21(19)25(17,2)12-13-27(23)16-18-8-9-18/h4-7,10-11,15,17-18,23,26H,8-9,12-14,16H2,1-3H3/t17-,23?,25-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U69,593 as radioligand


J Med Chem 46: 838-49 (2003)


Article DOI: 10.1021/jm020429w
BindingDB Entry DOI: 10.7270/Q2Z31Z09
More data for this
Ligand-Target Pair