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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50013622'   
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))
BDBM50013622
PNG
(9-methyloxy-22-cyclopropylmethyl-(2S,13R)-14-oxa-1...)
Show SMILES COc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |THB:18:32:9:27.25.26,14:13:9:27.25.26|
Show InChI InChI=1S/C27H28N2O4/c1-32-19-4-2-3-16-17-12-27(31)20-11-15-7-8-18(30)24-21(15)26(27,9-10-29(20)13-14-5-6-14)25(33-24)23(17)28-22(16)19/h2-4,7-8,14,20,25,28,30-31H,5-6,9-13H2,1H3/t20?,25-,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
43n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- EK in guinea pig brain membrane of opioid receptor kappa


J Med Chem 33: 1714-20 (1990)


BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50013622
PNG
(9-methyloxy-22-cyclopropylmethyl-(2S,13R)-14-oxa-1...)
Show SMILES COc1cccc2c3C[C@@]4(O)C5Cc6ccc(O)c7O[C@@H](c3[nH]c12)[C@]4(CCN5CC1CC1)c67 |THB:18:32:9:27.25.26,14:13:9:27.25.26|
Show InChI InChI=1S/C27H28N2O4/c1-32-19-4-2-3-16-17-12-27(31)20-11-15-7-8-18(30)24-21(15)26(27,9-10-29(20)13-14-5-6-14)25(33-24)23(17)28-22(16)19/h2-4,7-8,14,20,25,28,30-31H,5-6,9-13H2,1H3/t20?,25-,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
43n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- EK in guinea pig brain membrane of Opioid receptor kappa 1


J Med Chem 33: 1714-20 (1990)


BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair