BindingDB PrimarySearch

BDBM15510 (4R,5R)-5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2,4,5-trifluorophenyl)-piperidin-2-one::(4R,5R)-5-amino-1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one::4, 5-trans -5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2, 4, 5-trifluorophenyl)piperidin-2-one::Piperidinone-Constrained Phenethylamine 25::Piperidinone-Constrained Phenethylamine 31::Racemic mixture

SMILES: N[C@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F

InChI Key: InChIKey=DIRIFWIKLRTNMB-DYVFJYSZSA-N

Data: 5 KI

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 15510
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 4 (Homo sapiens (Human))	BDBM15510 ((4R,5R)-5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)eth...) Show SMILES Show InChI	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	3.20	-11.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 50: 1983-7 (2007) Article DOI: 10.1021/jm061436d BindingDB Entry DOI: 10.7270/Q2VQ30XV
Abbott Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15510 ((4R,5R)-5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)eth...) Show SMILES Show InChI	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	3.20	n/a	n/a	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
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15510 ((4R,5R)-5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)eth...) Show SMILES Show InChI	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	7.10	-11.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 50: 1983-7 (2007) Article DOI: 10.1021/jm061436d BindingDB Entry DOI: 10.7270/Q2VQ30XV
Abbott Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM15510 ((4R,5R)-5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)eth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 50: 1983-7 (2007) Article DOI: 10.1021/jm061436d BindingDB Entry DOI: 10.7270/Q2VQ30XV
Abbott Laboratories					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM15510 ((4R,5R)-5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)eth...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 50: 1983-7 (2007) Article DOI: 10.1021/jm061436d BindingDB Entry DOI: 10.7270/Q2VQ30XV
Abbott Laboratories					More data for this Ligand-Target Pair