BDBM50173957 (2S,4S)-1-((R)-3-(4-methoxybenzylsulfinyl)-2-amino-3-methylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile::CHEMBL199744

SMILES: COc1ccc(CS(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1

InChI Key: InChIKey=OZNBCMBTZBSNTG-CFQCZDIASA-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 = 50173957   

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))	BDBM50173957 ((2S,4S)-1-((R)-3-(4-methoxybenzylsulfinyl)-2-amino...) Show SMILES COc1ccc(CS(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 Show InChI InChI=1S/C18H24FN3O3S/c1-18(2,26(24)11-12-4-6-15(25-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	112	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
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50173957 ((2S,4S)-1-((R)-3-(4-methoxybenzylsulfinyl)-2-amino...) Show SMILES COc1ccc(CS(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 Show InChI InChI=1S/C18H24FN3O3S/c1-18(2,26(24)11-12-4-6-15(25-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+,26?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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
Fibroblast activation protein alpha (Homo sapiens (Human))	BDBM50173957 ((2S,4S)-1-((R)-3-(4-methoxybenzylsulfinyl)-2-amino...) Show SMILES COc1ccc(CS(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1 Show InChI InChI=1S/C18H24FN3O3S/c1-18(2,26(24)11-12-4-6-15(25-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+,26?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.34E+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