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3 similar compounds to monomer 50223170

Compile data set for download or QSAR
Wt: 221.2
BDBM50223186
Wt: 235.3
BDBM50223165
Wt: 195.2
BDBM50223173

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50223186,50223165,50223173   
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
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223173
PNG
(CHEMBL239017 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES C[NH+](C)CC#CCOc1cc(C)on1
Show InChI InChI=1S/C10H14N2O2/c1-9-8-10(11-14-9)13-7-5-4-6-12(2)3/h8H,6-7H2,1-3H3/p+1
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
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PubMed
2.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223173
PNG
(CHEMBL239017 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES C[NH+](C)CC#CCOc1cc(C)on1
Show InChI InChI=1S/C10H14N2O2/c1-9-8-10(11-14-9)13-7-5-4-6-12(2)3/h8H,6-7H2,1-3H3/p+1
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PubMed
3.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
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5.93E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
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7.39E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
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7.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
UniProtKB/SwissProt

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Article
PubMed
7.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50223186
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]-i...)
Show SMILES Cc1cc(OCC#CC[NH+]2CCCC2)no1
Show InChI InChI=1S/C12H16N2O2/c1-11-10-12(13-16-11)15-9-5-4-8-14-6-2-3-7-14/h10H,2-3,6-9H2,1H3/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223173
PNG
(CHEMBL239017 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES C[NH+](C)CC#CCOc1cc(C)on1
Show InChI InChI=1S/C10H14N2O2/c1-9-8-10(11-14-9)13-7-5-4-6-12(2)3/h8H,6-7H2,1-3H3/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223186
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]-i...)
Show SMILES Cc1cc(OCC#CC[NH+]2CCCC2)no1
Show InChI InChI=1S/C12H16N2O2/c1-11-10-12(13-16-11)15-9-5-4-8-14-6-2-3-7-14/h10H,2-3,6-9H2,1H3/p+1
PDB

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UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223173
PNG
(CHEMBL239017 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES C[NH+](C)CC#CCOc1cc(C)on1
Show InChI InChI=1S/C10H14N2O2/c1-9-8-10(11-14-9)13-7-5-4-6-12(2)3/h8H,6-7H2,1-3H3/p+1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50223173
PNG
(CHEMBL239017 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES C[NH+](C)CC#CCOc1cc(C)on1
Show InChI InChI=1S/C10H14N2O2/c1-9-8-10(11-14-9)13-7-5-4-6-12(2)3/h8H,6-7H2,1-3H3/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50223186
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]-i...)
Show SMILES Cc1cc(OCC#CC[NH+]2CCCC2)no1
Show InChI InChI=1S/C12H16N2O2/c1-11-10-12(13-16-11)15-9-5-4-8-14-6-2-3-7-14/h10H,2-3,6-9H2,1H3/p+1
MMDB

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n/an/an/a 1.55E+4n/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor in guinea-pig ileum


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50223165
PNG
(5-methyl-3-[(4-pyrrolidin-1-ylbut-2-yn-1-yl)oxy]is...)
Show SMILES Cc1cc(OCC#CC[N+]2(C)CCCC2)no1
Show InChI InChI=1S/C13H19N2O2/c1-12-11-13(14-17-12)16-10-6-5-9-15(2)7-3-4-8-15/h11H,3-4,7-10H2,1-2H3/q+1
MMDB

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n/an/an/a 1.66E+3n/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor in guinea-pig ileum


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50223173
PNG
(CHEMBL239017 | N,N-dimethyl-4-[(5-methylisoxazol-3...)
Show SMILES C[NH+](C)CC#CCOc1cc(C)on1
Show InChI InChI=1S/C10H14N2O2/c1-9-8-10(11-14-9)13-7-5-4-6-12(2)3/h8H,6-7H2,1-3H3/p+1
MMDB

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n/an/an/a 3.98E+4n/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor in guinea-pig ileum


Bioorg Med Chem 15: 7626-37 (2007)


Article DOI: 10.1016/j.bmc.2007.09.003
BindingDB Entry DOI: 10.7270/Q29K4C27
More data for this
Ligand-Target Pair