BindingDB PrimarySearch

BDBM12195 2-amino-4-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-1-(2,3-dihydro-1H-isoindol-2-yl)butane-1,4-dione::isoquinoline derivative 18

SMILES: NC(CC(=O)N1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1

InChI Key: InChIKey=ZKIQFLSGMMYCGS-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 12195
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 VIII (Homo sapiens (Human))	BDBM12195 (2-amino-4-{4-[bis(4-fluorophenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	37
National Health Research Institutes					Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...				Bioorg Med Chem Lett 15: 687-91 (2005) Article DOI: 10.1016/j.bmcl.2004.11.023 BindingDB Entry DOI: 10.7270/Q2XG9PDW
National Health Research Institutes					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase IV (Porphyromonas gingivalis)	BDBM12195 (2-amino-4-{4-[bis(4-fluorophenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate				Eur J Med Chem 139: 482-491 (2017) Article DOI: 10.1016/j.ejmech.2017.08.024 BindingDB Entry DOI: 10.7270/Q25B050P
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM12195 (2-amino-4-{4-[bis(4-fluorophenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes					Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...				Bioorg Med Chem Lett 15: 687-91 (2005) Article DOI: 10.1016/j.bmcl.2004.11.023 BindingDB Entry DOI: 10.7270/Q2XG9PDW
National Health Research Institutes					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12195 (2-amino-4-{4-[bis(4-fluorophenyl)methyl]piperazin-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
National Health Research Institutes					Assay Description The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...				Bioorg Med Chem Lett 15: 687-91 (2005) Article DOI: 10.1016/j.bmcl.2004.11.023 BindingDB Entry DOI: 10.7270/Q2XG9PDW
National Health Research Institutes					More data for this Ligand-Target Pair