BDBM11645 2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile::Xanthine Analogue 4::Xanthine mimetic compound 6
SMILES: Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O
InChI Key: InChIKey=XJNKUWDMCBZMTG-UHFFFAOYSA-N
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)) | BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2 | -11.7 | 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... | Biochemistry 45: 7474-82 (2006) Article DOI: 10.1021/bi060184f BindingDB Entry DOI: 10.7270/Q2P26WCG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2 | -11.7 | 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... | Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase IV (Rattus norvegicus (rat)) | BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 3 | -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... | Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase IV (Rattus norvegicus (rat)) | BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 3 | -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... | Biochemistry 45: 7474-82 (2006) Article DOI: 10.1021/bi060184f BindingDB Entry DOI: 10.7270/Q2P26WCG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >3.00E+4 | >-6.10 | 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... | Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dipeptidyl peptidase VIII (Homo sapiens (Human)) | BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >3.00E+4 | >-6.10 | 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... | Biochemistry 45: 7474-82 (2006) Article DOI: 10.1021/bi060184f BindingDB Entry DOI: 10.7270/Q2P26WCG | |||||||||||
More data for this Ligand-Target Pair |