BDBM50538309 CHEMBL4646116

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1

InChI Key: InChIKey=UKIVPXWUVXIMDE-UHFFFAOYSA-O

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 = 50538309   

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 and M5 (Homo sapiens (Human))	BDBM50538309 (CHEMBL4646116) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1 Show InChI InChI=1S/C49H61N7O2/c1-38-35-42(15-6-5-13-40-20-22-43(23-21-40)51(3)4)36-39(2)55(38)34-33-53-31-29-52(30-32-53)26-12-11-14-41-24-27-54(28-25-41)37-48(57)56-46-18-9-7-16-44(46)49(58)50-45-17-8-10-19-47(45)56/h5-10,13,15-23,35-36,41H,11-12,14,24-34,37H2,1-4H3/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3	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 M2 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay				J Med Chem 63: 4133-4154 (2020)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM50538309 (CHEMBL4646116) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1 Show InChI InChI=1S/C49H61N7O2/c1-38-35-42(15-6-5-13-40-20-22-43(23-21-40)51(3)4)36-39(2)55(38)34-33-53-31-29-52(30-32-53)26-12-11-14-41-24-27-54(28-25-41)37-48(57)56-46-18-9-7-16-44(46)49(58)50-45-17-8-10-19-47(45)56/h5-10,13,15-23,35-36,41H,11-12,14,24-34,37H2,1-4H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	9.5	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 M4 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay				J Med Chem 63: 4133-4154 (2020)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50538309 (CHEMBL4646116) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1 Show InChI InChI=1S/C49H61N7O2/c1-38-35-42(15-6-5-13-40-20-22-43(23-21-40)51(3)4)36-39(2)55(38)34-33-53-31-29-52(30-32-53)26-12-11-14-41-24-27-54(28-25-41)37-48(57)56-46-18-9-7-16-44(46)49(58)50-45-17-8-10-19-47(45)56/h5-10,13,15-23,35-36,41H,11-12,14,24-34,37H2,1-4H3/p+1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	14	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 M1 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay				J Med Chem 63: 4133-4154 (2020)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50538309 (CHEMBL4646116) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1 Show InChI InChI=1S/C49H61N7O2/c1-38-35-42(15-6-5-13-40-20-22-43(23-21-40)51(3)4)36-39(2)55(38)34-33-53-31-29-52(30-32-53)26-12-11-14-41-24-27-54(28-25-41)37-48(57)56-46-18-9-7-16-44(46)49(58)50-45-17-8-10-19-47(45)56/h5-10,13,15-23,35-36,41H,11-12,14,24-34,37H2,1-4H3/p+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	148	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 M3 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay				J Med Chem 63: 4133-4154 (2020)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M5 (Homo sapiens (Human))	BDBM50538309 (CHEMBL4646116) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1 Show InChI InChI=1S/C49H61N7O2/c1-38-35-42(15-6-5-13-40-20-22-43(23-21-40)51(3)4)36-39(2)55(38)34-33-53-31-29-52(30-32-53)26-12-11-14-41-24-27-54(28-25-41)37-48(57)56-46-18-9-7-16-44(46)49(58)50-45-17-8-10-19-47(45)56/h5-10,13,15-23,35-36,41H,11-12,14,24-34,37H2,1-4H3/p+1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	389	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 M5 receptor stably expressed in CHO-K9 cells by radioligand competitive binding assay				J Med Chem 63: 4133-4154 (2020)
					More data for this Ligand-Target Pair