BDBM50296765 CHEMBL558322::N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)pivalamide

SMILES: CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=PPIXLDHQYDDLOH-KGLIPLIRSA-N

Data: 5 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 5 hits for monomerid = 50296765   

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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50296765 (CHEMBL558322 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H28F3N3O2/c1-20(2,3)19(28)25-11-14-5-4-6-26(14)18(27)9-13(24)7-12-8-16(22)17(23)10-15(12)21/h8,10,13-14H,4-7,9,11,24H2,1-3H3,(H,25,28)/t13-,14+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human human liver microsomes by mass spectrometry				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50296765 (CHEMBL558322 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H28F3N3O2/c1-20(2,3)19(28)25-11-14-5-4-6-26(14)18(27)9-13(24)7-12-8-16(22)17(23)10-15(12)21/h8,10,13-14H,4-7,9,11,24H2,1-3H3,(H,25,28)/t13-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP7				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296765 (CHEMBL558322 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H28F3N3O2/c1-20(2,3)19(28)25-11-14-5-4-6-26(14)18(27)9-13(24)7-12-8-16(22)17(23)10-15(12)21/h8,10,13-14H,4-7,9,11,24H2,1-3H3,(H,25,28)/t13-,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50296765 (CHEMBL558322 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H28F3N3O2/c1-20(2,3)19(28)25-11-14-5-4-6-26(14)18(27)9-13(24)7-12-8-16(22)17(23)10-15(12)21/h8,10,13-14H,4-7,9,11,24H2,1-3H3,(H,25,28)/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP8				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50296765 (CHEMBL558322 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H28F3N3O2/c1-20(2,3)19(28)25-11-14-5-4-6-26(14)18(27)9-13(24)7-12-8-16(22)17(23)10-15(12)21/h8,10,13-14H,4-7,9,11,24H2,1-3H3,(H,25,28)/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP9				Bioorg Med Chem Lett 19: 4818-23 (2009) Article DOI: 10.1016/j.bmcl.2009.06.036 BindingDB Entry DOI: 10.7270/Q20865B6
					More data for this Ligand-Target Pair