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BDBM50325864 CHEMBL1224069::endo-6-((1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yloxy)picolinamide

SMILES: NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1

InChI Key: InChIKey=JGLVVKZHGZIDGU-FVQHAEBGSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325864   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325864
PNG
(CHEMBL1224069 | endo-6-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)18-7-4-8-19(22-18)25-17-11-15-9-10-16(12-17)23(15)13-14-5-2-1-3-6-14/h1-8,15-17H,9-13H2,(H2,21,24)/t15-,16+,17+
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG by electrophysiology assay


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
BindingDB Entry DOI: 10.7270/Q2X92BHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325864
PNG
(CHEMBL1224069 | endo-6-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)n1 |r,TLB:17:16:15.9.10:13.12|
Show InChI InChI=1S/C20H23N3O2/c21-20(24)18-7-4-8-19(22-18)25-17-11-15-9-10-16(12-17)23(15)13-14-5-2-1-3-6-14/h1-8,15-17H,9-13H2,(H2,21,24)/t15-,16+,17+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
BindingDB Entry DOI: 10.7270/Q2X92BHQ
More data for this
Ligand-Target Pair