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2 similar compounds to monomer 50208024

Compile data set for download or QSAR
Wt: 441.5
BDBM50207990
Wt: 437.6
BDBM50208018

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50207990,50208018   
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 M3


(Homo sapiens (Human))
BDBM50208018
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5,5-di-(2-th...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
Show InChI InChI=1S/C24H27N3OS2/c1-18-5-2-6-19(15-18)16-26-11-9-20(10-12-26)27-17-24(25-23(27)28,21-7-3-13-29-21)22-8-4-14-30-22/h2-8,13-15,20H,9-12,16-17H2,1H3,(H,25,28)
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Article
PubMed
1.72n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207990
PNG
(3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(2-th...)
Show SMILES Fc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
Show InChI InChI=1S/C23H24FN3OS2/c24-18-5-1-4-17(14-18)15-26-10-8-19(9-11-26)27-16-23(25-22(27)28,20-6-2-12-29-20)21-7-3-13-30-21/h1-7,12-14,19H,8-11,15-16H2,(H,25,28)
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Article
PubMed
2.75n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208018
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5,5-di-(2-th...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
Show InChI InChI=1S/C24H27N3OS2/c1-18-5-2-6-19(15-18)16-26-11-9-20(10-12-26)27-17-24(25-23(27)28,21-7-3-13-29-21)22-8-4-14-30-22/h2-8,13-15,20H,9-12,16-17H2,1H3,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
107n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50207990
PNG
(3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(2-th...)
Show SMILES Fc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
Show InChI InChI=1S/C23H24FN3OS2/c24-18-5-1-4-17(14-18)15-26-10-8-19(9-11-26)27-16-23(25-22(27)28,20-6-2-12-29-20)21-7-3-13-30-21/h1-7,12-14,19H,8-11,15-16H2,(H,25,28)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
187n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair