BDBM16272 2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile::Racemic::quinazolinone-based inhibitor 1a

SMILES: N[C@@H]1CCCN(C1)c1nc2ccccc2c(=O)n1Cc1ccccc1C#N

InChI Key: InChIKey=OYNURZXTLNNKAP-QGZVFWFLSA-N

Data: 3 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 3 hits for monomerid = 16272   

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))	BDBM16272 (2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-3,4-dihyd...) Show SMILES N[C@@H]1CCCN(C1)c1nc2ccccc2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
Takeda Pharmaceutical Company Ltd.					Assay Description Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....				J Med Chem 50: 2297-300 (2007) Article DOI: 10.1021/jm070104l BindingDB Entry DOI: 10.7270/Q2TM78C5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16272 (2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-3,4-dihyd...) Show SMILES N[C@@H]1CCCN(C1)c1nc2ccccc2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article	n/a	n/a	13	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 VIII (Homo sapiens (Human))	BDBM16272 (2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-3,4-dihyd...) Show SMILES N[C@@H]1CCCN(C1)c1nc2ccccc2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C21H21N5O/c22-12-15-6-1-2-7-16(15)13-26-20(27)18-9-3-4-10-19(18)24-21(26)25-11-5-8-17(23)14-25/h1-4,6-7,9-10,17H,5,8,11,13-14,23H2/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	22
Takeda Pharmaceutical Company Ltd.					Assay Description Compounds were tested for their ability to inhibit DPP enzymes mediated cleavage of Ala-Pro-7-amido-4-trifluoromethylcoumarin in a fluorogenic assay....				J Med Chem 50: 2297-300 (2007) Article DOI: 10.1021/jm070104l BindingDB Entry DOI: 10.7270/Q2TM78C5
					More data for this Ligand-Target Pair