BDBM325712 US9636336, Example 116::US9636336, Example 128::US9636336, Example 129::[(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]5-[[[1-(hydroxymethyl)-2-[[(3R)-1-methylpyrrolidin-3-yl]methoxy]-2-oxo-1-phenyl-ethyl]amino]methyl]thiophene-2-carboxylate

SMILES: COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@@H]2CCN(C)C2)c2ccccc2)s1

InChI Key: InChIKey=OQVXVFCVOCOHFS-ZECBPJKWSA-N

Data: 6 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 6 hits for monomerid = 325712   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM325712 (US9636336, Example 116 | US9636336, Example 128 | ...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31+,36?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair
Phosphodiesterase 4B2 (Homo sapiens (Human))	BDBM325712 (US9636336, Example 116 | US9636336, Example 128 | ...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31+,36?/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair
Phosphodiesterase 4B2 (Homo sapiens (Human))	BDBM325712 (US9636336, Example 116 | US9636336, Example 128 | ...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31+,36?/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair
Phosphodiesterase 4B2 (Homo sapiens (Human))	BDBM325712 (US9636336, Example 116 | US9636336, Example 128 | ...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31+,36?/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM325712 (US9636336, Example 116 | US9636336, Example 128 | ...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31+,36?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM325712 (US9636336, Example 116 | US9636336, Example 128 | ...) Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@@H]2CCN(C)C2)c2ccccc2)s1 Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31+,36?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
CHIESI FARMACEUTICI S.p.A. US Patent					Assay Description Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...				US Patent US9636336 (2017) BindingDB Entry DOI: 10.7270/Q2JS9SH5
					More data for this Ligand-Target Pair