Reaction Details Report a problem with these data
Target
Protein mono-ADP-ribosyltransferase PARP3
Ligand
BDBM50548685
Substrate
n/a
Meas. Tech.
ChEMBL_2022905 (CHEMBL4676718)
IC50
8000±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:
Protein mono-ADP-ribosyltransferase PARP3
Synonyms:
ADP-ribosyltransferase diphtheria toxin-like 3 | ADPRT-3 | ADPRT3 | ADPRTL3 | ARTD3 | IRT1 | NAD(+) ADP-ribosyltransferase 3 | PARP-3 | PARP3 | PARP3_HUMAN | Poly [ADP-ribose] polymerase 3 | Poly[ADP-ribose] synthase 3 | hPARP-3 | pADPRT-3
Type:
PROTEIN
Mol. Mass.:
60091.40
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109545
Residue:
533
Sequence:
MAPKPKPWVQTEGPEKKKGRQAGREEDPFRSTAEALKAIPAEKRIIRVDPTCPLSSNPGTQVYEDYNCTLNQTNIENNNNKFYIIQLLQDSNRFFTCWNRWGRVGEVGQSKINHFTRLEDAKKDFEKKFREKTKNNWAERDHFVSHPGKYTLIEVQAEDEAQEAVVKVDRGPVRTVTKRVQPCSLDPATQKLITNIFSKEMFKNTMALMDLDVKKMPLGKLSKQQIARGFEALEALEEALKGPTDGGQSLEELSSHFYTVIPHNFGHSQPPPINSPELLQAKKDMLLVLADIELAQALQAVSEQEKTVEEVPHPLDRDYQLLKCQLQLLDSGAPEYKVIQTYLEQTGSNHRCPTLQHIWKVNQEGEEDRFQAHSKLGNRKLLWHGTNMAVVAAILTSGLRIMPHSGGRVGKGIYFASENSKSAGYVIGMKCGAHHVGYMFLGEVALGREHHINTDNPSLKSPPPGFDSVIARGHTEPDPTQDTELELDGQQVVVPQGQPVPCPEFSSSTFSQSEYLIYQESQCRLRYLLEVHL
  
Inhibitor
Name:
BDBM50548685
Synonyms:
CHEMBL4776820
Type:
Small organic molecule
Emp. Form.:
C24H23N5O
Mol. Mass.:
397.4723
SMILES:
O=c1[nH]c(cc2ncccc12)C1=C[C@@H](CC1)N1CCN(CC1)c1ccc(cc1)C#N |r,t:13|
Structure:
Search PDB for entries with ligand similarity: