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BDBM50344284 CHEMBL1200803::Solifenacin::Solifenacin succinate::YM-67905::YM-905::vesicare

SMILES: O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1

InChI Key: InChIKey=FBOUYBDGKBSUES-VXKWHMMOSA-N

Data: 3 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 3 hits for monomerid = 50344284   
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 M1


(Homo sapiens (Human))
BDBM50344284
PNG
(CHEMBL1200803 | Solifenacin | Solifenacin succinat...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 |r,wD:3.2,20.24,THB:2:3:9.10:7.6,(12.11,-12.08,;13.44,-12.86,;14.78,-12.1,;14.78,-10.57,;14.5,-9.18,;13.16,-8.57,;13.23,-6.92,;13.67,-8.04,;13.42,-9.94,;11.89,-10.59,;11.69,-9.21,;13.43,-14.39,;14.77,-15.19,;14.73,-16.74,;13.38,-17.48,;13.37,-19.02,;12.02,-19.77,;10.7,-18.97,;10.72,-17.43,;12.06,-16.69,;12.08,-15.14,;10.76,-14.35,;9.42,-15.1,;8.1,-14.31,;8.13,-12.76,;9.47,-12.02,;10.79,-12.81,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
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n/an/a 63.5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50344284
PNG
(CHEMBL1200803 | Solifenacin | Solifenacin succinat...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 |r,wD:3.2,20.24,THB:2:3:9.10:7.6,(12.11,-12.08,;13.44,-12.86,;14.78,-12.1,;14.78,-10.57,;14.5,-9.18,;13.16,-8.57,;13.23,-6.92,;13.67,-8.04,;13.42,-9.94,;11.89,-10.59,;11.69,-9.21,;13.43,-14.39,;14.77,-15.19,;14.73,-16.74,;13.38,-17.48,;13.37,-19.02,;12.02,-19.77,;10.7,-18.97,;10.72,-17.43,;12.06,-16.69,;12.08,-15.14,;10.76,-14.35,;9.42,-15.1,;8.1,-14.31,;8.13,-12.76,;9.47,-12.02,;10.79,-12.81,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
PDB

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n/an/a 574n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50344284
PNG
(CHEMBL1200803 | Solifenacin | Solifenacin succinat...)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 |r,wD:3.2,20.24,THB:2:3:9.10:7.6,(12.11,-12.08,;13.44,-12.86,;14.78,-12.1,;14.78,-10.57,;14.5,-9.18,;13.16,-8.57,;13.23,-6.92,;13.67,-8.04,;13.42,-9.94,;11.89,-10.59,;11.69,-9.21,;13.43,-14.39,;14.77,-15.19,;14.73,-16.74,;13.38,-17.48,;13.37,-19.02,;12.02,-19.77,;10.7,-18.97,;10.72,-17.43,;12.06,-16.69,;12.08,-15.14,;10.76,-14.35,;9.42,-15.1,;8.1,-14.31,;8.13,-12.76,;9.47,-12.02,;10.79,-12.81,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
Reactome pathway
KEGG

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CHEMBL
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PC sid
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DrugBank
Article
PubMed
n/an/a 131n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 21: 3457-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.096
BindingDB Entry DOI: 10.7270/Q25H7GMV
More data for this
Ligand-Target Pair