Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase 1
Ligand
BDBM50068752
Substrate
n/a
Meas. Tech.
ChEMBL_159664 (CHEMBL761792)
IC50
130±n/a nM
Citation
 Griffin, RJ; Srinivasan, S; Bowman, K; Calvert, AH; Curtin, NJ; Newell, DR; Pemberton, LC; Golding, BT Resistance-modifying agents. 5. Synthesis and biological properties of quinazolinone inhibitors of the DNA repair enzyme poly(ADP-ribose) polymerase (PARP). J Med Chem 41:5247-56 (1999) [PubMed]  Article 
Target
Name:
Poly [ADP-ribose] polymerase 1
Synonyms:
Adprp | Adprt | Adprt1 | PARP1_MOUSE | Parp1 | Poly [ADP-ribose] polymerase 1 (Parp1) | Poly [ADP-ribose] polymerase-1
Type:
PROTEIN
Mol. Mass.:
113131.74
Organism:
Mus musculus
Description:
ChEMBL_159828
Residue:
1013
Sequence:
MAEASERLYRVQYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKVGQSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVAGKGQDGSGGKAEKTLGDFAAEYAKSNRSMCKGCLEKIEKGQMRLSKKMVDPEKPQLGMIDRWYHPTCFVKKRDELGFRPEYSASQLKGFSLLSAEDKEALKKQLPAIKNEGKRKGDEVDGTDEVAKKKSRKETDKYSKLEKALKAQNELIWNIKDELKKACSTNDLKELLIFNQQQVPSGESAILDRVADGMAFGALLPCKECSGQLVFKSDAYYCTGDVTAWTKCMVKTQNPSRKEWVTPKEFREISYLKKLKVKKQDRIFPPESSAPITVHWPLSVTSAPTAVNSSAPADKPLSNMKILTLGKLSQNKDEAKAVIEKLGGKLTGSANKASLCISIKKEVEKMNKKMEEVKEANIRVVSEDFLQDVSASTKSLQDLLSAHSLSPWGAEVKAEPGEVVAPRGKSAAPSKKSKGCFKEEGVNKSEKRMKLTLKGGAAVDPDSGLEHSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKESRYWIFRSWGRLGTVIGSNKLEQMPSKEEAVEQFMKLYEEKTGNAWHSKNFTKYPKKFYPLEIDYGQDEEAVKKLTVKPGTKSKLPKPVQELVGMIFDVDSMKKALVEYEIDLQKMPLGKLSRRQIQAAYSILSEVQQPVSQGSSESQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRGGSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEVIRKYVKNTHATTHNAYDLEVIDIFKIEREGESQRYKPFRQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADMVSKSANYCHTSQGDPIGLIMLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSASITLEGVEVPLGTGIPSGVNDTALLYNEYIVYDIAQVNLKYLLKLKFNFKTSLW
  
Inhibitor
Name:
BDBM50068752
Synonyms:
8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one | CHEMBL127396
Type:
Small organic molecule
Emp. Form.:
C15H11N3O3
Mol. Mass.:
281.2661
SMILES:
Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: