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2 similar compounds to monomer 50194068

Compile data set for download or QSAR
Wt: 178.2
BDBM50261763
Wt: 178.2
BDBM50261762

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50261763,50261762   
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.460n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotine from alpha4beta2 nAChR in rat cerebral membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.33n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]cystisine from alpha4beta2 nAChR (unknown origin)


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50261762
PNG
((+/-)-exo-2-(3-methylisoxazol-5-yl)-7-aza-bicyclo[...)
Show SMILES Cc1cc(on1)[C@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8+,9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50261763
PNG
((+/-)-endo-(1R,2R,4R)-2-(3-methylisoxazol-5-yl)-7-...)
Show SMILES Cc1cc(on1)[C@@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8-,9-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat cortical membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50261763
PNG
((+/-)-endo-(1R,2R,4R)-2-(3-methylisoxazol-5-yl)-7-...)
Show SMILES Cc1cc(on1)[C@@H]1C[C@H]2CC[C@H]1N2
Show InChI InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8-,9-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
230n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in rat cortical membrane


Bioorg Med Chem Lett 18: 4651-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.016
BindingDB Entry DOI: 10.7270/Q20C4VKW
More data for this
Ligand-Target Pair