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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 = 'BDBM50266886'   
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))
BDBM50266886
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H28N2O5/c33-22-8-7-19-14-24-30(37-28(35)21-13-18-3-1-2-4-20(18)15-31-21)10-9-23(34)27-29(30,25(19)26(22)36-27)11-12-32(24)16-17-5-6-17/h1-4,7-8,13,15,17,24,27,33H,5-6,9-12,14,16H2/t24-,27+,29+,30-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPN from kappa opioid receptor (unknown origin) expressed in CHO cell membranes after 1.5 hrs


J Med Chem 56: 9156-69 (2013)


Article DOI: 10.1021/jm4012214
BindingDB Entry DOI: 10.7270/Q2JH3Q4C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266886
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10-hydroxy-1...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)c1cc2ccccc2cn1 |r|
Show InChI InChI=1S/C30H28N2O5/c33-22-8-7-19-14-24-30(37-28(35)21-13-18-3-1-2-4-20(18)15-31-21)10-9-23(34)27-29(30,25(19)26(22)36-27)11-12-32(24)16-17-5-6-17/h1-4,7-8,13,15,17,24,27,33H,5-6,9-12,14,16H2/t24-,27+,29+,30-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 1825-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.093
BindingDB Entry DOI: 10.7270/Q2GX4CH2
More data for this
Ligand-Target Pair