BDBM50173967 (2S,4S)-1-((R)-2-amino-3-((5-chlorobenzo[b]thiophen-3-yl)methylsulfonyl)-3-methylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile::CHEMBL199379

SMILES: CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1csc2ccc(Cl)cc12

InChI Key: InChIKey=GUBNROKMFNBDBZ-GRDNDAEWSA-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 = 50173967   

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))	BDBM50173967 ((2S,4S)-1-((R)-2-amino-3-((5-chlorobenzo[b]thiophe...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1csc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClFN3O3S2/c1-19(2,17(23)18(25)24-8-13(21)6-14(24)7-22)29(26,27)10-11-9-28-16-4-3-12(20)5-15(11)16/h3-5,9,13-14,17H,6,8,10,23H2,1-2H3/t13-,14-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	40	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))	BDBM50173967 ((2S,4S)-1-((R)-2-amino-3-((5-chlorobenzo[b]thiophe...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1csc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClFN3O3S2/c1-19(2,17(23)18(25)24-8-13(21)6-14(24)7-22)29(26,27)10-11-9-28-16-4-3-12(20)5-15(11)16/h3-5,9,13-14,17H,6,8,10,23H2,1-2H3/t13-,14-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.16E+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))	BDBM50173967 ((2S,4S)-1-((R)-2-amino-3-((5-chlorobenzo[b]thiophe...) Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1csc2ccc(Cl)cc12 Show InChI InChI=1S/C19H21ClFN3O3S2/c1-19(2,17(23)18(25)24-8-13(21)6-14(24)7-22)29(26,27)10-11-9-28-16-4-3-12(20)5-15(11)16/h3-5,9,13-14,17H,6,8,10,23H2,1-2H3/t13-,14-,17+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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