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BDBM50325878 CHEMBL1224213::endo-2-((1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yloxy)benzamide

SMILES: NC(=O)c1ccccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1

InChI Key: InChIKey=VZUNLOUVARCFRX-PIIMJCKOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325878   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50325878
PNG
(CHEMBL1224213 | endo-2-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:18:17:14.13:16.10.11|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)19-8-4-5-9-20(19)25-18-12-16-10-11-17(13-18)23(16)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H2,22,24)/t16-,17+,18+
PDB

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CHEMBL
PC cid
PC sid
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Similars

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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50325878
PNG
(CHEMBL1224213 | endo-2-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES NC(=O)c1ccccc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 |r,TLB:18:17:14.13:16.10.11|
Show InChI InChI=1S/C21H24N2O2/c22-21(24)19-8-4-5-9-20(19)25-18-12-16-10-11-17(13-18)23(16)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H2,22,24)/t16-,17+,18+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 340n/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