BDBM50344773 (R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-1-(4-methoxybenzyl)piperazin-2-one::CHEMBL1779699

SMILES: COc1ccc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1

InChI Key: InChIKey=KNQGJTLFPWWGEW-MRXNPFEDSA-N

Data: 2 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 2 hits for monomerid = 50344773   

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))	BDBM50344773 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES COc1ccc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |r| Show InChI InChI=1S/C22H24F3N3O3/c1-31-17-4-2-14(3-5-17)12-27-6-7-28(13-22(27)30)21(29)10-16(26)8-15-9-19(24)20(25)11-18(15)23/h2-5,9,11,16H,6-8,10,12-13,26H2,1H3/t16-/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	33.9	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1 hr by fluorescence assay				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50344773 ((R)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-...) Show SMILES COc1ccc(CN2CCN(CC2=O)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |r| Show InChI InChI=1S/C22H24F3N3O3/c1-31-17-4-2-14(3-5-17)12-27-6-7-28(13-22(27)30)21(29)10-16(26)8-15-9-19(24)20(25)11-18(15)23/h2-5,9,11,16H,6-8,10,12-13,26H2,1H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 21: 3809-12 (2011) Article DOI: 10.1016/j.bmcl.2011.04.029 BindingDB Entry DOI: 10.7270/Q2XS5VQK
					More data for this Ligand-Target Pair