BDBM50106486 1,8-Bis-[1'-(2-methoxy-benzyl)-[4,4']bipiperidinyl-1-yl]-octane-1,8-dione::CHEMBL130835

SMILES: COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1

InChI Key: InChIKey=UWKMFEOQWPCWLU-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50106486   

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 M2 (Homo sapiens (Human))	BDBM50106486 (1,8-Bis-[1'-(2-methoxy-benzyl)-[4,4']bipiperidinyl...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1 Show InChI InChI=1S/C44H66N4O4/c1-51-41-13-9-7-11-39(41)33-45-25-17-35(18-26-45)37-21-29-47(30-22-37)43(49)15-5-3-4-6-16-44(50)48-31-23-38(24-32-48)36-19-27-46(28-20-36)34-40-12-8-10-14-42(40)52-2/h7-14,35-38H,3-6,15-34H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Affinity for human muscarinic acetylcholine receptor M2 expressed in CHO-K1 cells				J Med Chem 44: 4035-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6PTT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50106486 (1,8-Bis-[1'-(2-methoxy-benzyl)-[4,4']bipiperidinyl...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1 Show InChI InChI=1S/C44H66N4O4/c1-51-41-13-9-7-11-39(41)33-45-25-17-35(18-26-45)37-21-29-47(30-22-37)43(49)15-5-3-4-6-16-44(50)48-31-23-38(24-32-48)36-19-27-46(28-20-36)34-40-12-8-10-14-42(40)52-2/h7-14,35-38H,3-6,15-34H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Affinity for human M4 cloned muscarinic receptor subtype expressed in CHO-K1 cells				J Med Chem 44: 4035-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6PTT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50106486 (1,8-Bis-[1'-(2-methoxy-benzyl)-[4,4']bipiperidinyl...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1 Show InChI InChI=1S/C44H66N4O4/c1-51-41-13-9-7-11-39(41)33-45-25-17-35(18-26-45)37-21-29-47(30-22-37)43(49)15-5-3-4-6-16-44(50)48-31-23-38(24-32-48)36-19-27-46(28-20-36)34-40-12-8-10-14-42(40)52-2/h7-14,35-38H,3-6,15-34H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	97.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Affinity for human M3 cloned muscarinic receptor subtype expressed in CHO-K1 cells				J Med Chem 44: 4035-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6PTT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50106486 (1,8-Bis-[1'-(2-methoxy-benzyl)-[4,4']bipiperidinyl...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1 Show InChI InChI=1S/C44H66N4O4/c1-51-41-13-9-7-11-39(41)33-45-25-17-35(18-26-45)37-21-29-47(30-22-37)43(49)15-5-3-4-6-16-44(50)48-31-23-38(24-32-48)36-19-27-46(28-20-36)34-40-12-8-10-14-42(40)52-2/h7-14,35-38H,3-6,15-34H2,1-2H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	108	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Affinity for human M1 cloned muscarinic receptor subtype expressed in CHO-K1 cells				J Med Chem 44: 4035-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6PTT
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50106486 (1,8-Bis-[1'-(2-methoxy-benzyl)-[4,4']bipiperidinyl...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1 Show InChI InChI=1S/C44H66N4O4/c1-51-41-13-9-7-11-39(41)33-45-25-17-35(18-26-45)37-21-29-47(30-22-37)43(49)15-5-3-4-6-16-44(50)48-31-23-38(24-32-48)36-19-27-46(28-20-36)34-40-12-8-10-14-42(40)52-2/h7-14,35-38H,3-6,15-34H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	183	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Affinity for human muscarinic acetylcholine receptor M5 subtype expressed in CHO-K1 cells				J Med Chem 44: 4035-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6PTT
					More data for this Ligand-Target Pair