null

SMILES: [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1

InChI Key: InChIKey=SADFFAQSWHTWLL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50265980   

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))	BDBM50265980 (CHEMBL4066481) Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells after 3 hrs by liquid scintillation counting assay				J Med Chem 60: 3314-3334 (2017) Article DOI: 10.1021/acs.jmedchem.6b01892 BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50265980 (CHEMBL4066481) Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 4 nM after 2 hrs by liqu...				J Med Chem 60: 3314-3334 (2017) Article DOI: 10.1021/acs.jmedchem.6b01892 BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50265980 (CHEMBL4066481) Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 8 nM after 2 hrs by liqu...				J Med Chem 60: 3314-3334 (2017) Article DOI: 10.1021/acs.jmedchem.6b01892 BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50265980 (CHEMBL4066481) Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 30 nM after 2 hrs by liq...				J Med Chem 60: 3314-3334 (2017) Article DOI: 10.1021/acs.jmedchem.6b01892 BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50265980 (CHEMBL4066481) Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 2 nM after 2 hrs by liqu...				J Med Chem 60: 3314-3334 (2017) Article DOI: 10.1021/acs.jmedchem.6b01892 BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50265980 (CHEMBL4066481) Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Ratio of binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as dissociation rate constant to binding af...				J Med Chem 60: 3314-3334 (2017) Article DOI: 10.1021/acs.jmedchem.6b01892 BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50265980 (CHEMBL4066481) Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Competitive binding affinity to human muscarinic acetylcholine receptor M2 expressed in CHOK9 cells assessed as W84 pIC50 at 15 nM after 2 hrs by liq...				J Med Chem 60: 3314-3334 (2017) Article DOI: 10.1021/acs.jmedchem.6b01892 BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50265980 (CHEMBL4066481) Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to human muscarinic acetylcholine receptor M2 expressed in live adherent CHOK9 cells assessed as ratio of dissociation rate constant...				J Med Chem 60: 3314-3334 (2017) Article DOI: 10.1021/acs.jmedchem.6b01892 BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50265980 (CHEMBL4066481) Show SMILES [3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1 Show InChI InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a
University of Regensburg Curated by ChEMBL					Assay Description Binding affinity to human muscarinic acetylcholine receptor M2 expressed in live adherent CHOK9 cells after 2 hrs by liquid scintillation counting as...				J Med Chem 60: 3314-3334 (2017) Article DOI: 10.1021/acs.jmedchem.6b01892 BindingDB Entry DOI: 10.7270/Q29S1THC
					More data for this Ligand-Target Pair