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BDBM50327260 CHEMBL1258165::endo-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yloxy)benzamide

SMILES: CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O

InChI Key: InChIKey=RLYMZSRJLRBKEY-DABQJJPHSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50327260   
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))
BDBM50327260
PNG
(CHEMBL1258165 | endo-3-(8-methyl-8-azabicyclo[3.2....)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:0:1:7.6.8:4.3|
Show InChI InChI=1S/C15H20N2O2/c1-17-11-5-6-12(17)9-14(8-11)19-13-4-2-3-10(7-13)15(16)18/h2-4,7,11-12,14H,5-6,8-9H2,1H3,(H2,16,18)/t11-,12+,14-
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>33n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327260
PNG
(CHEMBL1258165 | endo-3-(8-methyl-8-azabicyclo[3.2....)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Oc1cccc(c1)C(N)=O |r,TLB:0:1:7.6.8:4.3|
Show InChI InChI=1S/C15H20N2O2/c1-17-11-5-6-12(17)9-14(8-11)19-13-4-2-3-10(7-13)15(16)18/h2-4,7,11-12,14H,5-6,8-9H2,1H3,(H2,16,18)/t11-,12+,14-
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5847-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.113
BindingDB Entry DOI: 10.7270/Q23F4PV1
More data for this
Ligand-Target Pair