null

SMILES: CC#CCn1c(NCCN)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12

InChI Key: InChIKey=XQXLKLOWYXOIOJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50376986   

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 M1 (Homo sapiens (Human))	BDBM50376986 (CHEMBL257376) Show SMILES CC#CCn1c(NCCN)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C21H22N8O/c1-3-4-11-28-19-17(27-21(28)23-10-9-22)12-24-29(20(19)30)13-18-25-14(2)15-7-5-6-8-16(15)26-18/h5-8,12H,9-11,13,22H2,1-2H3,(H,23,27)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic receptor M1 expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.04.075 BindingDB Entry DOI: 10.7270/Q2ZP470M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50376986 (CHEMBL257376) Show SMILES CC#CCn1c(NCCN)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C21H22N8O/c1-3-4-11-28-19-17(27-21(28)23-10-9-22)12-24-29(20(19)30)13-18-25-14(2)15-7-5-6-8-16(15)26-18/h5-8,12H,9-11,13,22H2,1-2H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco-2 cells after 1 hr				Bioorg Med Chem Lett 18: 3158-62 (2008) Article DOI: 10.1016/j.bmcl.2008.04.075 BindingDB Entry DOI: 10.7270/Q2ZP470M
					More data for this Ligand-Target Pair