BDBM50253072 CHEMBL4083327

SMILES: COc1cncc(c1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N

InChI Key: InChIKey=SYISLWZKVAOHOU-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50253072   

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 M4 (Homo sapiens (Human))	BDBM50253072 (CHEMBL4083327) Show SMILES COc1cncc(c1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N Show InChI InChI=1S/C18H20N6O2S/c1-9-10(2)22-23-18-14(9)15(19)16(27-18)17(25)21-11-7-24(8-11)12-4-13(26-3)6-20-5-12/h4-6,11H,7-8,19H2,1-3H3,(H,21,25)	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	17	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...				Bioorg Med Chem Lett 27: 2990-2995 (2017) Article DOI: 10.1016/j.bmcl.2017.05.014 BindingDB Entry DOI: 10.7270/Q2MS3W6Q
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM50253072 (CHEMBL4083327) Show SMILES COc1cncc(c1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N Show InChI InChI=1S/C18H20N6O2S/c1-9-10(2)22-23-18-14(9)15(19)16(27-18)17(25)21-11-7-24(8-11)12-4-13(26-3)6-20-5-12/h4-6,11H,7-8,19H2,1-3H3,(H,21,25)	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	17	n/a	n/a	n/a	n/a
Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University School of Medicine, Nashville, TN 37232, USA. Curated by ChEMBL					Assay Description Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...				Bioorg Med Chem Lett 27: 2990-2995 (2017) Article DOI: 10.1016/j.bmcl.2017.05.014 BindingDB Entry DOI: 10.7270/Q2MS3W6Q
					More data for this Ligand-Target Pair