BDBM50173968 (R)-3-amino-4-((2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl)-2-methyl-4-oxobutane-2-sulfonic acid::CHEMBL199891

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

InChI Key: InChIKey=VMJBGOXVNJOYDT-BIIVOSGPSA-N

Data: 3 KI

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 3 hits for monomerid = 50173968   

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))	BDBM50173968 ((R)-3-amino-4-((2S,4S)-2-cyano-4-fluoropyrrolidin-...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(O)(=O)=O Show InChI InChI=1S/C10H16FN3O4S/c1-10(2,19(16,17)18)8(13)9(15)14-5-6(11)3-7(14)4-12/h6-8H,3,5,13H2,1-2H3,(H,16,17,18)/t6-,7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	154	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against human DPP4				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50173968 ((R)-3-amino-4-((2S,4S)-2-cyano-4-fluoropyrrolidin-...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(O)(=O)=O Show InChI InChI=1S/C10H16FN3O4S/c1-10(2,19(16,17)18)8(13)9(15)14-5-6(11)3-7(14)4-12/h6-8H,3,5,13H2,1-2H3,(H,16,17,18)/t6-,7-,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against recombinant seprase				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50173968 ((R)-3-amino-4-((2S,4S)-2-cyano-4-fluoropyrrolidin-...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(O)(=O)=O Show InChI InChI=1S/C10H16FN3O4S/c1-10(2,19(16,17)18)8(13)9(15)14-5-6(11)3-7(14)4-12/h6-8H,3,5,13H2,1-2H3,(H,16,17,18)/t6-,7-,8+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibitory activity against recombinant DPP2				Bioorg Med Chem Lett 15: 5257-61 (2005) Article DOI: 10.1016/j.bmcl.2005.08.050 BindingDB Entry DOI: 10.7270/Q21R6Q2C
					More data for this Ligand-Target Pair