BDBM50242513 (2S,4S)-4-Fluoro-1-[N-(2-hydroxy-1,1-dimethylethyl)glycyl]pyrrolidine-2-carbonitrile::(2S,4S)-4-fluoro-1-(2-(1-hydroxy-2-methylpropan-2-ylamino)acetyl)pyrrolidine-2-carbonitrile::CHEMBL472096

SMILES: CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C#N

InChI Key: InChIKey=XJGUWEAPKPNAID-IUCAKERBSA-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 = 50242513   

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))	BDBM50242513 ((2S,4S)-4-Fluoro-1-[N-(2-hydroxy-1,1-dimethylethyl...) Show SMILES CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C11H18FN3O2/c1-11(2,7-16)14-5-10(17)15-6-8(12)3-9(15)4-13/h8-9,14,16H,3,5-7H2,1-2H3/t8-,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma by fluorescence assay				Bioorg Med Chem 16: 4093-106 (2008) Article DOI: 10.1016/j.bmc.2008.01.016 BindingDB Entry DOI: 10.7270/Q27H1KGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50242513 ((2S,4S)-4-Fluoro-1-[N-(2-hydroxy-1,1-dimethylethyl...) Show SMILES CC(C)(CO)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r| Show InChI InChI=1S/C11H18FN3O2/c1-11(2,7-16)14-5-10(17)15-6-8(12)3-9(15)4-13/h8-9,14,16H,3,5-7H2,1-2H3/t8-,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Matrix Laboratories Limited Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem 17: 1783-802 (2009) Article DOI: 10.1016/j.bmc.2009.01.061 BindingDB Entry DOI: 10.7270/Q2VD70DJ
					More data for this Ligand-Target Pair