BindingDB PrimarySearch

BDBM15518 (3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4-yl)-4-(2,4,5-trifluorophenyl)-piperidin-3-amine::(3R,4R)-1-[6-(3-methanesulfonylphenyl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)piperidin-3-amine::Piperidine-Constrained Phenethylamine 42

SMILES: CS(=O)(=O)c1cccc(c1)-c1cc(ncn1)N1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F

InChI Key: InChIKey=GOBIXGZJSMAOFV-QRWLVFNGSA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 15518
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))	BDBM15518 ((3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4...) 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	4	-11.3	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))	BDBM15518 ((3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4...) 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	4	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 9 (Homo sapiens (Human))	BDBM15518 ((3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	>3.00E+4	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))	BDBM15518 ((3R,4R)-1-(6-(3-(methylsulfonyl)phenyl)pyrimidin-4...) 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+4	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