BDBM50207298 CHEMBL3899590

SMILES: CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)OC3CCCC3)c(=O)c12)N1CCC[C@@H](N)C1

InChI Key: InChIKey=RKULEWXSZJQINA-JOCHJYFZSA-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 = 50207298   

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))	BDBM50207298 (CHEMBL3899590) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)OC3CCCC3)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C29H43N7O4/c1-3-4-16-35-24-25(31-28(35)34-15-7-9-22(30)20-34)32(2)29(39)36(26(24)37)17-8-14-33-18-12-21(13-19-33)27(38)40-23-10-5-6-11-23/h21-23H,5-20,30H2,1-2H3/t22-/m1/s1	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	890	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
					More data for this Ligand-Target Pair