BDBM50296759 CHEMBL559601::N-(((S)-1-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2,2-difluoro-N-methylpropanamide

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

InChI Key: InChIKey=ANONTXNDTZLCFJ-OLZOCXBDSA-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 = 50296759   

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))	BDBM50296759 (CHEMBL559601 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(F)F |r| Show InChI InChI=1S/C19H24F5N3O2/c1-19(23,24)18(29)26(2)10-13-4-3-5-27(13)17(28)8-12(25)6-11-7-15(21)16(22)9-14(11)20/h7,9,12-13H,3-6,8,10,25H2,1-2H3/t12-,13+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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))	BDBM50296759 (CHEMBL559601 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(F)F |r| Show InChI InChI=1S/C19H24F5N3O2/c1-19(23,24)18(29)26(2)10-13-4-3-5-27(13)17(28)8-12(25)6-11-7-15(21)16(22)9-14(11)20/h7,9,12-13H,3-6,8,10,25H2,1-2H3/t12-,13+/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	4.80E+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))	BDBM50296759 (CHEMBL559601 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(F)F |r| Show InChI InChI=1S/C19H24F5N3O2/c1-19(23,24)18(29)26(2)10-13-4-3-5-27(13)17(28)8-12(25)6-11-7-15(21)16(22)9-14(11)20/h7,9,12-13H,3-6,8,10,25H2,1-2H3/t12-,13+/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	7.80	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))	BDBM50296759 (CHEMBL559601 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(F)F |r| Show InChI InChI=1S/C19H24F5N3O2/c1-19(23,24)18(29)26(2)10-13-4-3-5-27(13)17(28)8-12(25)6-11-7-15(21)16(22)9-14(11)20/h7,9,12-13H,3-6,8,10,25H2,1-2H3/t12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	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))	BDBM50296759 (CHEMBL559601 | N-(((S)-1-((R)-3-amino-4-(2,4,5-tri...) Show SMILES CN(C[C@@H]1CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C(=O)C(C)(F)F |r| Show InChI InChI=1S/C19H24F5N3O2/c1-19(23,24)18(29)26(2)10-13-4-3-5-27(13)17(28)8-12(25)6-11-7-15(21)16(22)9-14(11)20/h7,9,12-13H,3-6,8,10,25H2,1-2H3/t12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	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