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BDBM50327254 CHEMBL1258166::endo-3-(8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yloxy)benzamide

SMILES: NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1

InChI Key: InChIKey=AQEIRYQRLMXQPR-SCAQPMJSSA-N

Data: 4 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 4 hits for monomerid = 50327254   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50327254
PNG
(CHEMBL1258166 | endo-3-(8-(cyclopropylmethyl)-8-az...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C18H24N2O2/c19-18(21)13-2-1-3-16(8-13)22-17-9-14-6-7-15(10-17)20(14)11-12-4-5-12/h1-3,8,12,14-15,17H,4-7,9-11H2,(H2,19,21)/t14-,15+,17-
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human delta opioid receptor assessed as inhibition of SNC80-stimulated [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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50327254
PNG
(CHEMBL1258166 | endo-3-(8-(cyclopropylmethyl)-8-az...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C18H24N2O2/c19-18(21)13-2-1-3-16(8-13)22-17-9-14-6-7-15(10-17)20(14)11-12-4-5-12/h1-3,8,12,14-15,17H,4-7,9-11H2,(H2,19,21)/t14-,15+,17-
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Article
PubMed
n/an/a 7.30n/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))
BDBM50327254
PNG
(CHEMBL1258166 | endo-3-(8-(cyclopropylmethyl)-8-az...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C18H24N2O2/c19-18(21)13-2-1-3-16(8-13)22-17-9-14-6-7-15(10-17)20(14)11-12-4-5-12/h1-3,8,12,14-15,17H,4-7,9-11H2,(H2,19,21)/t14-,15+,17-
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n/an/a 6.69E+3n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50327254
PNG
(CHEMBL1258166 | endo-3-(8-(cyclopropylmethyl)-8-az...)
Show SMILES NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CC2)c1 |r,TLB:17:16:9.15.10:13.12|
Show InChI InChI=1S/C18H24N2O2/c19-18(21)13-2-1-3-16(8-13)22-17-9-14-6-7-15(10-17)20(14)11-12-4-5-12/h1-3,8,12,14-15,17H,4-7,9-11H2,(H2,19,21)/t14-,15+,17-
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor assessed as inhibition of DAMGO-stimulated [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