Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.4 BDBM50018550Purchase

Wt: 362.4 BDBM50018556Purchase

Wt: 362.4 BDBM50228206Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-arrestin-1 (RABBIT)	BDBM50018550 (1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione |...) Show SMILES O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 240: 51-8 (1987) BindingDB Entry DOI: 10.7270/Q2XW4H9Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018550 (1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione |...) Show SMILES O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research Foundation Curated by PDSP Ki Database									Psychopharmacology (Berl) 124: 57-73 (1996) Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50018550 (1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione |...) Show SMILES O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 500-7 (1998) BindingDB Entry DOI: 10.7270/Q2HX1B6S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018550 (1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione |...) Show SMILES O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 500-7 (1998) BindingDB Entry DOI: 10.7270/Q2HX1B6S
					More data for this Ligand-Target Pair
Beta-arrestin-1 (RABBIT)	BDBM50018550 (1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione |...) Show SMILES O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 240: 51-8 (1987) BindingDB Entry DOI: 10.7270/Q2XW4H9Q
					More data for this Ligand-Target Pair
Beta-arrestin-1 (RABBIT)	BDBM50018550 (1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione |...) Show SMILES O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	571	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 240: 51-8 (1987) BindingDB Entry DOI: 10.7270/Q2XW4H9Q
					More data for this Ligand-Target Pair
Beta-arrestin-1 (RABBIT)	BDBM50018550 (1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione |...) Show SMILES O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	7.28E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 240: 51-8 (1987) BindingDB Entry DOI: 10.7270/Q2XW4H9Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50018550 (1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione |...) Show SMILES O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	9.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 500-7 (1998) BindingDB Entry DOI: 10.7270/Q2HX1B6S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (RAT)	BDBM50018550 (1'-Benzyl-3-phenyl-[3,4']bipiperidinyl-2,6-dione |...) Show SMILES O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by PDSP Ki Database									J Pharmacol Exp Ther 284: 500-7 (1998) BindingDB Entry DOI: 10.7270/Q2HX1B6S
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Mus musculus)	BDBM50228206 (Dexetimide | R-16470 [as hydrochloride]) Show SMILES O=C1CC[C@@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to muscarinic receptor in mice				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50018556 ((+)-1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione...) Show SMILES O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from rat brain homogenate				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Mus musculus)	BDBM50018556 ((+)-1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione...) Show SMILES O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins Medical Institutions Curated by ChEMBL					Assay Description Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to muscarinic receptor in mice				J Med Chem 32: 1057-62 (1989) BindingDB Entry DOI: 10.7270/Q29S1T87
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50018556 ((+)-1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione...) Show SMILES O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition of ITAC-stimulated [35S]GTPgammaS binding pretreated 30 mins before ...				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50018556 ((+)-1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione...) Show SMILES O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M1 receptor				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50018556 ((+)-1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione...) Show SMILES O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M2 receptor				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50018556 ((+)-1'-benzyl-3-phenyl-3,4'-bipiperidine-2,6-dione...) Show SMILES O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson PRD Curated by ChEMBL					Assay Description Binding affinity to human muscarinic M3 receptor				Bioorg Med Chem Lett 18: 5819-23 (2009) Article DOI: 10.1016/j.bmcl.2008.07.115 BindingDB Entry DOI: 10.7270/Q2RV0NQB
					More data for this Ligand-Target Pair