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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 = 'BDBM50050753'   
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))
BDBM50050753
PNG
(5-(3-{[4-(1-{[2-(3,4-Dichloro-phenyl)-acetyl]-meth...)
Show SMILES [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:20.20,c:23,26|
Show InChI InChI=1S/C44H39Cl2N5O7S/c1-50(41(55)19-25-4-15-35(45)36(46)18-25)37(24-51-16-2-3-17-51)26-5-7-27(8-6-26)48-40(54)23-47-44(59)49-28-9-12-31(34(20-28)43(56)57)42-32-13-10-29(52)21-38(32)58-39-22-30(53)11-14-33(39)42/h4-15,18,20-22,37,52-53H,2-3,16-17,19,23-24H2,1H3,(H,47,59)(H,48,54)(H,56,57)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 62n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated guinea pig longitudinal ileal muscle (GPI) preparation.


J Med Chem 39: 1729-35 (1996)


Article DOI: 10.1021/jm950813b
BindingDB Entry DOI: 10.7270/Q27S7PFG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Mus musculus (Mouse))
BDBM50050753
PNG
(5-(3-{[4-(1-{[2-(3,4-Dichloro-phenyl)-acetyl]-meth...)
Show SMILES [#6]-[#7](-[#6](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1ccc(-[#7]-[#6](=O)-[#6]-[#7]-[#6](=S)-[#7]=[#6]-2-[#6]=[#6]\[#6](-[#6](=[#6]-2)-[#6](-[#8])=O)=[#6]-2\c3ccc(-[#8])cc3-[#8]-c3cc(-[#8])ccc-23)cc1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |w:20.20,c:23,26|
Show InChI InChI=1S/C44H39Cl2N5O7S/c1-50(41(55)19-25-4-15-35(45)36(46)18-25)37(24-51-16-2-3-17-51)26-5-7-27(8-6-26)48-40(54)23-47-44(59)49-28-9-12-31(34(20-28)43(56)57)42-32-13-10-29(52)21-38(32)58-39-22-30(53)11-14-33(39)42/h4-15,18,20-22,37,52-53H,2-3,16-17,19,23-24H2,1H3,(H,47,59)(H,48,54)(H,56,57)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 102n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in electrically stimulated mouse vas deferens (MVD) preparation.


J Med Chem 39: 1729-35 (1996)


Article DOI: 10.1021/jm950813b
BindingDB Entry DOI: 10.7270/Q27S7PFG
More data for this
Ligand-Target Pair