BDBM50173980 (2S,4S)-1-[(R)-2-amino-3-(biphenyl-4-ylmethanesulfonyl)-3-methyl-butyryl]-4-fluoro-pyrrolidine-2-carbonitrile::CHEMBL199450

SMILES: CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=FASJTLPKTVBWBG-PCCBWWKXSA-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 = 50173980   

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))	BDBM50173980 ((2S,4S)-1-[(R)-2-amino-3-(biphenyl-4-ylmethanesulf...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H26FN3O3S/c1-23(2,21(26)22(28)27-14-19(24)12-20(27)13-25)31(29,30)15-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19-21H,12,14-15,26H2,1-2H3/t19-,20-,21+/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	579	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))	BDBM50173980 ((2S,4S)-1-[(R)-2-amino-3-(biphenyl-4-ylmethanesulf...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H26FN3O3S/c1-23(2,21(26)22(28)27-14-19(24)12-20(27)13-25)31(29,30)15-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19-21H,12,14-15,26H2,1-2H3/t19-,20-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.66E+3	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))	BDBM50173980 ((2S,4S)-1-[(R)-2-amino-3-(biphenyl-4-ylmethanesulf...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C23H26FN3O3S/c1-23(2,21(26)22(28)27-14-19(24)12-20(27)13-25)31(29,30)15-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19-21H,12,14-15,26H2,1-2H3/t19-,20-,21+/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