BDBM50413125 CHEMBL486983

SMILES: CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1

InChI Key: InChIKey=XKJHWFAMUVWRDJ-NMXAJACMSA-N

Data: 3 IC50

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 3 hits for monomerid = 50413125   

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 M1 (Homo sapiens (Human))	BDBM50413125 (CHEMBL486983) Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r| Show InChI InChI=1S/C31H36N4O6/c1-20(2)41-30(39)23-7-9-24(10-8-23)33-31(40)34-28(17-21-3-11-26(36)12-4-21)29(38)32-25-15-16-35(19-25)18-22-5-13-27(37)14-6-22/h3-14,20,25,28,36-37H,15-19H2,1-2H3,(H,32,38)(H2,33,34,40)/t25?,28-/m0/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...				Bioorg Med Chem Lett 18: 5481-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.020 BindingDB Entry DOI: 10.7270/Q23B61CM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50413125 (CHEMBL486983) Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r| Show InChI InChI=1S/C31H36N4O6/c1-20(2)41-30(39)23-7-9-24(10-8-23)33-31(40)34-28(17-21-3-11-26(36)12-4-21)29(38)32-25-15-16-35(19-25)18-22-5-13-27(37)14-6-22/h3-14,20,25,28,36-37H,15-19H2,1-2H3,(H,32,38)(H2,33,34,40)/t25?,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant muscarinic M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced intracellular ...				Bioorg Med Chem Lett 18: 5481-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.020 BindingDB Entry DOI: 10.7270/Q23B61CM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50413125 (CHEMBL486983) Show SMILES CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r| Show InChI InChI=1S/C31H36N4O6/c1-20(2)41-30(39)23-7-9-24(10-8-23)33-31(40)34-28(17-21-3-11-26(36)12-4-21)29(38)32-25-15-16-35(19-25)18-22-5-13-27(37)14-6-22/h3-14,20,25,28,36-37H,15-19H2,1-2H3,(H,32,38)(H2,33,34,40)/t25?,28-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79.4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant muscarinic M2 receptor expressed in CHO cells coexpressing chimeric G protein Gqi5 assessed as inhibition of...				Bioorg Med Chem Lett 18: 5481-6 (2008) Article DOI: 10.1016/j.bmcl.2008.09.020 BindingDB Entry DOI: 10.7270/Q23B61CM
					More data for this Ligand-Target Pair