BDBM126822 US8785477, Sitagliptin

SMILES: NC(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=MFFMDFFZMYYVKS-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 126822   

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 IV (Rattus norvegicus (rat))	BDBM126822 (US8785477, Sitagliptin) Show SMILES NC(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	26.0	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd. US Patent					Assay Description Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...				US Patent US8785477 (2014) BindingDB Entry DOI: 10.7270/Q20K278Q
					More data for this Ligand-Target Pair				3D Structure (crystal)