BindingDB PrimarySearch

BDBM50206820 (R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride::CHEMBL539611

SMILES: N[C@@H](CC(=O)N1CCCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=XXRHRPGYYNOBHO-QGZVFWFLSA-N

Data: 1 KI 8 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50206820
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dipeptidyl peptidase IV (Sus scrofa (pig))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	56.2	n/a	n/a	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 pig kidney DPP4				Bioorg Med Chem Lett 17: 2622-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	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 POP				Bioorg Med Chem Lett 17: 2622-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.87E+4	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 DPP9				Bioorg Med Chem Lett 17: 2622-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.82E+4	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 DPP2				Bioorg Med Chem Lett 17: 2622-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.91E+4	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 DPP8				Bioorg Med Chem Lett 17: 3716-21 (2007) Article DOI: 10.1016/j.bmcl.2007.04.031 BindingDB Entry DOI: 10.7270/Q2D21ZTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.91E+4	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 DPP8				Bioorg Med Chem Lett 17: 2622-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	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 DPP9				Bioorg Med Chem Lett 17: 3716-21 (2007) Article DOI: 10.1016/j.bmcl.2007.04.031 BindingDB Entry DOI: 10.7270/Q2D21ZTR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	70	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				Bioorg Med Chem Lett 17: 2622-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aminopeptidase N (Homo sapiens (Human))	BDBM50206820 ((R)-3-amino-1-(2-benzoyl-1,2-diazepan-1-yl)-4-(2,4...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 APN				Bioorg Med Chem Lett 17: 2622-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.111 BindingDB Entry DOI: 10.7270/Q21V5FS4
					More data for this Ligand-Target Pair