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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 = 'BDBM50296867'   
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))
BDBM50296867
PNG
((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....)
Show SMILES CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C |r|
Show InChI InChI=1S/C24H26N2O/c1-25-10-9-24-14-22-19(18-5-3-4-6-21(18)26(22)2)13-23(24,15-25)12-16-7-8-17(27)11-20(16)24/h3-8,11,27H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
1.12E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
BindingDB Entry DOI: 10.7270/Q2WQ04RF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50296867
PNG
((1S,13R)-10,22-dimethyl-10,22-diazahexacyclo[11.7....)
Show SMILES CN1CC[C@]23Cc4c(C[C@]2(Cc2ccc(O)cc32)C1)c1ccccc1n4C |r|
Show InChI InChI=1S/C24H26N2O/c1-25-10-9-24-14-22-19(18-5-3-4-6-21(18)26(22)2)13-23(24,15-25)12-16-7-8-17(27)11-20(16)24/h3-8,11,27H,9-10,12-15H2,1-2H3/t23-,24-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 62n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]U50488 from human kappa opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 4603-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.093
BindingDB Entry DOI: 10.7270/Q2WQ04RF
More data for this
Ligand-Target Pair