Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 367.3 BDBM50451529

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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 (RAT)	BDBM50451529 (CHEMBL4203579) Show SMILES Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C21H19F2N3O/c1-12-7-13(2)24-20-6-3-14(8-17(12)20)21(27)25-15-10-26(11-15)16-4-5-18(22)19(23)9-16/h3-9,15H,10-11H2,1-2H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	851	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Positive allosteric modulation of rat M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mob...				Bioorg Med Chem Lett 27: 4999-5001 (2017) Article DOI: 10.1016/j.bmcl.2017.10.016 BindingDB Entry DOI: 10.7270/Q2SJ1P6M
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (RAT)	BDBM50451529 (CHEMBL4203579) Show SMILES Cc1cc(C)c2cc(ccc2n1)C(=O)NC1CN(C1)c1ccc(F)c(F)c1 Show InChI InChI=1S/C21H19F2N3O/c1-12-7-13(2)24-20-6-3-14(8-17(12)20)21(27)25-15-10-26(11-15)16-4-5-18(22)19(23)9-16/h3-9,15H,10-11H2,1-2H3,(H,25,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	856	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Positive allosteric modulation of rat M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mob...				Bioorg Med Chem Lett 27: 4999-5001 (2017) Article DOI: 10.1016/j.bmcl.2017.10.016 BindingDB Entry DOI: 10.7270/Q2SJ1P6M
					More data for this Ligand-Target Pair