BDBM50253978 CHEMBL4089615

SMILES: Cl.Cl.CC(C)Cc1nc(C)c(CCc2nc(cs2)C(N)=O)c(-c2ccc(C)cc2)c1CN

InChI Key: InChIKey=JHLDVAKLAFZQIP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50253978   

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))	BDBM50253978 (CHEMBL4089615) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(CCc2nc(cs2)C(N)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C24H30N4OS/c1-14(2)11-20-19(12-25)23(17-7-5-15(3)6-8-17)18(16(4)27-20)9-10-22-28-21(13-30-22)24(26)29/h5-8,13-14H,9-12,25H2,1-4H3,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair