Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M4' and Ligand = 'BDBM50240546'   

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 M4 (Homo sapiens (Human))	BDBM50240546 (CHEMBL4085711) Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	347	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50240546 (CHEMBL4085711) Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at recombinant human M4 receptor expressed in CHO cells co-expressing Gqi5 by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50240546 (CHEMBL4085711) Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	562	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at rat M4 receptor by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50240546 (CHEMBL4085711) Show SMILES CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1 Show InChI InChI=1S/C27H30N4O2/c1-2-20-7-9-24(10-8-20)33-26-17-25(28-19-29-26)30-14-12-22(13-15-30)27(32)31-16-11-21-5-3-4-6-23(21)18-31/h3-10,17,19,22H,2,11-16,18H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Antagonist activity at rat M4 receptor by calcium mobilization assay				Bioorg Med Chem Lett 27: 2479-2483 (2017) Article DOI: 10.1016/j.bmcl.2017.04.009 BindingDB Entry DOI: 10.7270/Q2VT1V7H
					More data for this Ligand-Target Pair