BDBM50364149 CHEMBL1951440

SMILES: CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3ncc4ccccc4n3)c(=O)c12

InChI Key: InChIKey=AXXAQAKCIIGJEY-UHFFFAOYSA-N

Data: 2 IC50

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 = 50364149   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50364149 (CHEMBL1951440) Show SMILES CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3ncc4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C25H24N8O/c1-2-3-12-33-23-22(19(14-26)24(33)31-11-6-9-27-10-13-31)29-17-32(25(23)34)16-21-28-15-18-7-4-5-8-20(18)30-21/h4-5,7-8,15,17,27H,6,9-13,16H2,1H3	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50364149 (CHEMBL1951440) Show SMILES CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3ncc4ccccc4n3)c(=O)c12 Show InChI InChI=1S/C25H24N8O/c1-2-3-12-33-23-22(19(14-26)24(33)31-11-6-9-27-10-13-31)29-17-32(25(23)34)16-21-28-15-18-7-4-5-8-20(18)30-21/h4-5,7-8,15,17,27H,6,9-13,16H2,1H3	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of M1 receptor				Bioorg Med Chem Lett 22: 1464-8 (2012) Article DOI: 10.1016/j.bmcl.2011.11.054 BindingDB Entry DOI: 10.7270/Q2SF2WN8
					More data for this Ligand-Target Pair