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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 = 'BDBM50130603'   
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))
BDBM50130603
PNG
(13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2|
Show InChI InChI=1S/C33H32N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-15,27,34,36H,16-20H2,1-2H3/b11-8+/t27?,31-,32-,33-/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
94n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130603
PNG
(13,22-dimethyl-2-[3-phenyl-(E)-2-propenyl]-14-oxa-...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(C\C=C\c2ccccc2)C1Cc4ccc5O |TLB:33:32:20:1.3.2,6:5:20:1.3.2|
Show InChI InChI=1S/C33H32N2O2/c1-31-30-24(23-12-6-7-13-25(23)34-30)20-32(16-8-11-21-9-4-3-5-10-21)27-19-22-14-15-26(36)29(37-31)28(22)33(31,32)17-18-35(27)2/h3-15,27,34,36H,16-20H2,1-2H3/b11-8+/t27?,31-,32-,33-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.05E+3n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor kappa 1


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair