BDBM27716 4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one::4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-2H-phthalazin-1-one::4-[4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl]-1,2-dihydrophthalazin-1-one::CHEMBL425201::phthalazinone analogue, 9a
SMILES: O=c1[nH]nc(CCCCN2CCC(=CC2)c2ccccc2)c2ccccc12
InChI Key: InChIKey=LIUHMYXLEFZHEQ-UHFFFAOYSA-N
Data: 4 IC50
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)) | BDBM27716 (4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)p...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 120 | 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 | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27716 (4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)p...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 64 | 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 | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM27716 (4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)p...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 64 | 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 Poly(ADP-ribose) polymerase 1 | Bioorg Med Chem Lett 15: 4221-5 (2005) Article DOI: 10.1016/j.bmcl.2005.06.094 BindingDB Entry DOI: 10.7270/Q2VH5NDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse)) | BDBM27716 (4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)p...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | 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 |