Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2' and Ligand = 'BDBM50497837'   

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))	BDBM50497837 (CHEMBL3323283) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C36H49N3O6.2BrH/c1-38(2,20-13-18-37-34(41)27-16-9-10-17-28(27)35(37)42)19-11-4-5-12-21-39(3)30-22-26(23-31(39)33-32(30)45-33)44-36(43)29(24-40)25-14-7-6-8-15-25;;/h6-10,14-17,26,29-33,40H,4-5,11-13,18-24H2,1-3H3;2*1H/q+2;;/p-2/t26-,29-,30+,31-,32+,33-,39?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 W422A mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497837 (CHEMBL3323283) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C36H49N3O6.2BrH/c1-38(2,20-13-18-37-34(41)27-16-9-10-17-28(27)35(37)42)19-11-4-5-12-21-39(3)30-22-26(23-31(39)33-32(30)45-33)44-36(43)29(24-40)25-14-7-6-8-15-25;;/h6-10,14-17,26,29-33,40H,4-5,11-13,18-24H2,1-3H3;2*1H/q+2;;/p-2/t26-,29-,30+,31-,32+,33-,39?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q/T423H mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497837 (CHEMBL3323283) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C36H49N3O6.2BrH/c1-38(2,20-13-18-37-34(41)27-16-9-10-17-28(27)35(37)42)19-11-4-5-12-21-39(3)30-22-26(23-31(39)33-32(30)45-33)44-36(43)29(24-40)25-14-7-6-8-15-25;;/h6-10,14-17,26,29-33,40H,4-5,11-13,18-24H2,1-3H3;2*1H/q+2;;/p-2/t26-,29-,30+,31-,32+,33-,39?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y177Q mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497837 (CHEMBL3323283) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C36H49N3O6.2BrH/c1-38(2,20-13-18-37-34(41)27-16-9-10-17-28(27)35(37)42)19-11-4-5-12-21-39(3)30-22-26(23-31(39)33-32(30)45-33)44-36(43)29(24-40)25-14-7-6-8-15-25;;/h6-10,14-17,26,29-33,40H,4-5,11-13,18-24H2,1-3H3;2*1H/q+2;;/p-2/t26-,29-,30+,31-,32+,33-,39?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from wild-type human muscarinic M2 receptor expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50497837 (CHEMBL3323283) Show SMILES [Br-].[Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)OC(=O)[C@H](CO)c1ccccc1 |r,THB:15:14:5.3:11.10.9,16:14:5.3:11.10.9| Show InChI InChI=1S/C36H49N3O6.2BrH/c1-38(2,20-13-18-37-34(41)27-16-9-10-17-28(27)35(37)42)19-11-4-5-12-21-39(3)30-22-26(23-31(39)33-32(30)45-33)44-36(43)29(24-40)25-14-7-6-8-15-25;;/h6-10,14-17,26,29-33,40H,4-5,11-13,18-24H2,1-3H3;2*1H/q+2;;/p-2/t26-,29-,30+,31-,32+,33-,39?;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]-NMS from human muscarinic M2 Y104A mutant expressed in Flp-In-CHO cells by liquid scintillation counting				J Med Chem 57: 6739-50 (2014) Article DOI: 10.1021/jm500790x BindingDB Entry DOI: 10.7270/Q2RJ4NGM
					More data for this Ligand-Target Pair