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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 = 'BDBM50166632'   
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))
BDBM50166632
PNG
(CHEMBL192520 | N-Methyl-2-{4-[(3-methyl-ureido)-me...)
Show SMILES CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C24H32N4O2/c1-25-24(30)26-17-20-12-10-19(11-13-20)16-23(29)27(2)22(18-28-14-6-7-15-28)21-8-4-3-5-9-21/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H2,25,26,30)/t22-/m1/s1
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Article
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6.10n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against human Opioid receptor kappa using [3H]-diprenorphine as radio ligand


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166632
PNG
(CHEMBL192520 | N-Methyl-2-{4-[(3-methyl-ureido)-me...)
Show SMILES CNC(=O)NCc1ccc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C24H32N4O2/c1-25-24(30)26-17-20-12-10-19(11-13-20)16-23(29)27(2)22(18-28-14-6-7-15-28)21-8-4-3-5-9-21/h3-5,8-13,22H,6-7,14-18H2,1-2H3,(H2,25,26,30)/t22-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 390n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity assessed by ability to stimulate [35S]GTP gammaS binding to opioid receptor kappa in human membranes


Bioorg Med Chem Lett 15: 2647-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.020
BindingDB Entry DOI: 10.7270/Q2PR7VH4
More data for this
Ligand-Target Pair