BindingDB PrimarySearch

BDBM50296490 (7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahydro-dipyrido[1,2-a3',4'-d]imidazol-7-ylamine tris hydrochloride::CHEMBL552068

SMILES: N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21

InChI Key: InChIKey=SOSYXEPELJIJHZ-RNCFNFMXSA-N

Data: 8 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50296490
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))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human endogenous DPP4 in presence of 50% human serum				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
Merck& Co. Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
Merck& Co. Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Mus musculus)	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of C57BL/6N mouse DPP4				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
Merck& Co. Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP4 activity by continuous fluorometric assay				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
Merck& Co. Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	67	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 2 (DPP II) (Homo sapiens (Human))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant QPP transfected in insect SF9 cells				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
Merck& Co. Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	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
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP8 expressed in baculovirus by continuous fluorescent assay				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
Merck& Co. Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP9 expressed in baculovirus by continuous fluorescent assay				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
Merck& Co. Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
Merck& Co. Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)