BDBM50068759 8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazolin-4-one::CHEMBL123798
SMILES: COc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=PFWLEODBNCMHGH-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 (Mus musculus) | BDBM50068759![]() (8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazol...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University Curated by ChEMBL | Assay Description Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells | J Med Chem 41: 5247-56 (1999) Article DOI: 10.1021/jm980273t BindingDB Entry DOI: 10.7270/Q2VX0FNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human)) | BDBM50068759![]() (8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazol...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay | Eur J Med Chem 118: 316-27 (2016) BindingDB Entry DOI: 10.7270/Q22F7QC0 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM50068759![]() (8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazol...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay | Eur J Med Chem 118: 316-27 (2016) BindingDB Entry DOI: 10.7270/Q22F7QC0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human)) | BDBM50068759![]() (8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazol...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat... | Eur J Med Chem 118: 316-27 (2016) BindingDB Entry DOI: 10.7270/Q22F7QC0 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human)) | BDBM50068759![]() (8-Methoxy-2-(4-trifluoromethyl-phenyl)-3H-quinazol...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath Curated by ChEMBL | Assay Description Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay | Eur J Med Chem 118: 316-27 (2016) BindingDB Entry DOI: 10.7270/Q22F7QC0 | |||||||||||
More data for this Ligand-Target Pair |