Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50011432   

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
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50106485 (1'-[8-(1-(2-methoxy-benzyl)-[4,4']bipiperidinyl)-o...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1 Show InChI InChI=1S/C44H70N4O2/c1-49-43-15-9-7-13-41(43)35-47-31-21-39(22-32-47)37-17-27-45(28-18-37)25-11-5-3-4-6-12-26-46-29-19-38(20-30-46)40-23-33-48(34-24-40)36-42-14-8-10-16-44(42)50-2/h7-10,13-16,37-40H,3-6,11-12,17-36H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Binding affinity against muscarinic acetylcholine receptor M2				J Med Chem 44: 4035-8 (2001) BindingDB Entry DOI: 10.7270/Q21R6PTT
					More data for this Ligand-Target Pair
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 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 M2 (Homo sapiens (Human))	BDBM50064176 (CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	14.3	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))	BDBM50106485 (1'-[8-(1-(2-methoxy-benzyl)-[4,4']bipiperidinyl)-o...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1 Show InChI InChI=1S/C44H70N4O2/c1-49-43-15-9-7-13-41(43)35-47-31-21-39(22-32-47)37-17-27-45(28-18-37)25-11-5-3-4-6-12-26-46-29-19-38(20-30-46)40-23-33-48(34-24-40)36-42-14-8-10-16-44(42)50-2/h7-10,13-16,37-40H,3-6,11-12,17-36H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15.3	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 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 M1 (Homo sapiens (Human))	BDBM50106485 (1'-[8-(1-(2-methoxy-benzyl)-[4,4']bipiperidinyl)-o...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1 Show InChI InChI=1S/C44H70N4O2/c1-49-43-15-9-7-13-41(43)35-47-31-21-39(22-32-47)37-17-27-45(28-18-37)25-11-5-3-4-6-12-26-46-29-19-38(20-30-46)40-23-33-48(34-24-40)36-42-14-8-10-16-44(42)50-2/h7-10,13-16,37-40H,3-6,11-12,17-36H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19.8	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 M4 (Homo sapiens (Human))	BDBM50064176 (CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	38	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 M1 (Homo sapiens (Human))	BDBM50064176 (CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	49.8	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 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	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 M5 (Homo sapiens (Human))	BDBM50106485 (1'-[8-(1-(2-methoxy-benzyl)-[4,4']bipiperidinyl)-o...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1 Show InChI InChI=1S/C44H70N4O2/c1-49-43-15-9-7-13-41(43)35-47-31-21-39(22-32-47)37-17-27-45(28-18-37)25-11-5-3-4-6-12-26-46-29-19-38(20-30-46)40-23-33-48(34-24-40)36-42-14-8-10-16-44(42)50-2/h7-10,13-16,37-40H,3-6,11-12,17-36H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	105	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
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 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 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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50064176 (CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	277	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 M5 (Homo sapiens (Human))	BDBM50064176 (CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...) Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	313	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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50106485 (1'-[8-(1-(2-methoxy-benzyl)-[4,4']bipiperidinyl)-o...) Show SMILES COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1 Show InChI InChI=1S/C44H70N4O2/c1-49-43-15-9-7-13-41(43)35-47-31-21-39(22-32-47)37-17-27-45(28-18-37)25-11-5-3-4-6-12-26-46-29-19-38(20-30-46)40-23-33-48(34-24-40)36-42-14-8-10-16-44(42)50-2/h7-10,13-16,37-40H,3-6,11-12,17-36H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	422	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