Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3' and Ligand = 'BDBM50538205'   

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 M3 (Homo sapiens (Human))	BDBM50538205 (CHEMBL4636528) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.0640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50538205 (CHEMBL4636528) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor transiently expressed in HEK293T cell membranes incubated for 1 hr by scint...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50538205 (CHEMBL4636528) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50538205 (CHEMBL4636528) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.10	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as increase in IP1 accumulation incubated for 90 min by TR-HTRF a...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50538205 (CHEMBL4636528) Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.30	n/a	n/a	n/a	n/a
Friedrich-Alexander-Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...				J Med Chem 63: 4349-4369 (2020) Article DOI: 10.1021/acs.jmedchem.0c00297 BindingDB Entry DOI: 10.7270/Q2CR5XWB
					More data for this Ligand-Target Pair