BDBM27709 2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl]propyl}-8-methyl-3,4-dihydroquinazolin-4-one::CHEMBL401843::quinazolinone analogue, 1e
SMILES: Cc1cccc2c1nc(CCCN1CCC(=CC1)c1ccc(F)cc1)[nH]c2=O
InChI Key: InChIKey=LOFDUAJQRUYHBR-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)) | BDBM27709 (2-{3-[4-(4-fluorophenyl)-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 Similars | PDB Article PubMed | n/a | n/a | 16 | 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)) | BDBM27709 (2-{3-[4-(4-fluorophenyl)-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 Similars | PDB Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant PARP1 | J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27709 (2-{3-[4-(4-fluorophenyl)-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 Similars | PDB Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc. Curated by ChEMBL | Assay Description Inhibition of human PARP1 | Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse)) | BDBM27709 (2-{3-[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 167 | 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 |