BDBM27714 5-fluoro-1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione::CHEMBL361054::quinazolidinone analogue, 2b
SMILES: Fc1cccc2n(CCCCN3CCC(=CC3)c3ccccc3)c(=O)[nH]c(=O)c12
InChI Key: InChIKey=PNPFDRCIGCUCMN-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27714 (5-fluoro-1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | 8.0 | 23 |
Fujisawa Pharmaceutical Co. Ltd | Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste... | Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27714 (5-fluoro-1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1 | J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse)) | BDBM27714 (5-fluoro-1-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | 25 |
Fujisawa Pharmaceutical Co. Ltd | Assay Description To assess the inhibitory activity of novel inhibitors, the PARP enzyme assay was carried out in reaction mixture consisting of activated salmon teste... | Bioorg Med Chem 14: 1378-90 (2006) Article DOI: 10.1016/j.bmc.2005.09.061 BindingDB Entry DOI: 10.7270/Q2610XPZ | |||||||||||
More data for this Ligand-Target Pair |