BDBM50256569 (R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-1,4-diazepane-1-carbonyl)benzoic acid hydrochloride::CHEMBL482154

SMILES: N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=NXUBRAZWHJADLI-QGZVFWFLSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50256569   

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))	BDBM50256569 ((R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...) Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H24F3N3O4/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(30)28-6-1-7-29(9-8-28)22(31)14-2-4-15(5-3-14)23(32)33/h2-5,11,13,17H,1,6-10,12,27H2,(H,32,33)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dipeptidyl peptidase 4 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0455-6 BindingDB Entry DOI: 10.7270/Q2HH6NZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50256569 ((R)-4-(4-(3-amino-4-(2,4,5-trifluorophenyl)butanoy...) Show SMILES N[C@@H](CC(=O)N1CCCN(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H24F3N3O4/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(30)28-6-1-7-29(9-8-28)22(31)14-2-4-15(5-3-14)23(32)33/h2-5,11,13,17H,1,6-10,12,27H2,(H,32,33)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin)				Bioorg Med Chem Lett 18: 6525-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.076 BindingDB Entry DOI: 10.7270/Q25D8RQV
					More data for this Ligand-Target Pair				3D Structure (crystal)