Reaction Details Report a problem with these data
Target
Poly [ADP-ribose] polymerase 2
Ligand
BDBM50548673
Substrate
n/a
Meas. Tech.
ChEMBL_2022850 (CHEMBL4676663)
IC50
3.9±n/a nM
Citation
 Karche, NP; Bhonde, M; Sinha, N; Jana, G; Kukreja, G; Kurhade, SP; Jagdale, AR; Tilekar, AR; Hajare, AK; Jadhav, GR; Gupta, NR; Limaye, R; Khedkar, N; Thube, BR; Shaikh, JS; Rao Irlapati, N; Phukan, S; Gole, G; Bommakanti, A; Khanwalkar, H; Pawar, Y; Kale, R; Kumar, R; Gupta, R; Praveen Kumar, VR; Wahid, S; Francis, A; Bhat, T; Kamble, N; Patil, V; Nigade, PB; Modi, D; Pawar, S; Naidu, S; Volam, H; Pagdala, V; Mallurwar, S; Goyal, H; Bora, P; Ahirrao, P; Singh, M; Kamalakannan, P; Naik, KR; Kumar, P; Powar, RG; Shankar, RB; Bernstein, PR; Gundu, J; Nemmani, K; Narasimham, L; George, KS; Sharma, S; Bakhle, D; Kamboj, RK; Palle, VP Discovery of isoquinolinone and naphthyridinone-based inhibitors of poly(ADP-ribose) polymerase-1 (PARP1) as anticancer agents: Structure activity relationship and preclinical characterization. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Poly [ADP-ribose] polymerase 2
Synonyms:
(ARTD2 or PARP2) | ADPRT2 | ADPRTL2 | PARP2 | PARP2_HUMAN | Poly [ADP-ribose] polymerase 2 (PARP-2) | Poly [ADP-ribose] polymerase 2 (PARP2)
Type:
Enzyme
Mol. Mass.:
66225.70
Organism:
Homo sapiens (Human)
Description:
Q9UGN5
Residue:
583
Sequence:
MAARRRRSTGGGRARALNESKRVNNGNTAPEDSSPAKKTRRCQRQESKKMPVAGGKANKDRTEDKQDGMPGRSWASKRVSESVKALLLKGKAPVDPECTAKVGKAHVYCEGNDVYDVMLNQTNLQFNNNKYYLIQLLEDDAQRNFSVWMRWGRVGKMGQHSLVACSGNLNKAKEIFQKKFLDKTKNNWEDREKFEKVPGKYDMLQMDYATNTQDEEETKKEESLKSPLKPESQLDLRVQELIKLICNVQAMEEMMMEMKYNTKKAPLGKLTVAQIKAGYQSLKKIEDCIRAGQHGRALMEACNEFYTRIPHDFGLRTPPLIRTQKELSEKIQLLEALGDIEIAIKLVKTELQSPEHPLDQHYRNLHCALRPLDHESYEFKVISQYLQSTHAPTHSDYTMTLLDLFEVEKDGEKEAFREDLHNRMLLWHGSRMSNWVGILSHGLRIAPPEAPITGYMFGKGIYFADMSSKSANYCFASRLKNTGLLLLSEVALGQCNELLEANPKAEGLLQGKHSTKGLGKMAPSSAHFVTLNGSTVPLGPASDTGILNPDGYTLNYNEYIVYNPNQVRMRYLLKVQFNFLQLW
  
Inhibitor
Name:
BDBM50548673
Synonyms:
CHEMBL4748390
Type:
Small organic molecule
Emp. Form.:
C23H24FN5O
Mol. Mass.:
405.468
SMILES:
Nc1cc(F)cc2c1cc(CCCN1CCN(CC1)c1ccc(cc1)C#N)[nH]c2=O
Structure:
Search PDB for entries with ligand similarity: