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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 = 'BDBM50369222'   
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))
BDBM50369222
PNG
(CHEMBL1907789)
Show SMILES [#6]-[#7](-[#6@H](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1cccc(-[#7]-[#6](=O)-[#6]-[#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)c1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |r,w:25.25,c:28,31|
Show InChI InChI=1S/C46H42Cl2N6O8S/c1-53(43(59)18-26-7-14-36(47)37(48)17-26)38(25-54-15-2-3-16-54)27-5-4-6-28(19-27)51-42(58)24-49-41(57)23-50-46(63)52-29-8-11-32(35(20-29)45(60)61)44-33-12-9-30(55)21-39(33)62-40-22-31(56)10-13-34(40)44/h4-14,17,19-22,38,55-56H,2-3,15-16,18,23-25H2,1H3,(H,49,57)(H,50,63)(H,51,58)(H,60,61)/t38-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/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))
BDBM50369222
PNG
(CHEMBL1907789)
Show SMILES [#6]-[#7](-[#6@H](-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)-c1cccc(-[#7]-[#6](=O)-[#6]-[#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)c1)-[#6](=O)-[#6]-c1ccc(Cl)c(Cl)c1 |r,w:25.25,c:28,31|
Show InChI InChI=1S/C46H42Cl2N6O8S/c1-53(43(59)18-26-7-14-36(47)37(48)17-26)38(25-54-15-2-3-16-54)27-5-4-6-28(19-27)51-42(58)24-49-41(57)23-50-46(63)52-29-8-11-32(35(20-29)45(60)61)44-33-12-9-30(55)21-39(33)62-40-22-31(56)10-13-34(40)44/h4-14,17,19-22,38,55-56H,2-3,15-16,18,23-25H2,1H3,(H,49,57)(H,50,63)(H,51,58)(H,60,61)/t38-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/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