Reaction Details |
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Target | Poly [ADP-ribose] polymerase 1 |
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Ligand | BDBM50446130 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2022849 (CHEMBL4676662) |
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IC50 | 0.700000±n/a nM |
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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 Chem28:0 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Poly [ADP-ribose] polymerase 1 |
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Name: | Poly [ADP-ribose] polymerase 1 |
Synonyms: | (ARTD1 or PARP1) | 2.4.2.- | 2.4.2.30 | ADP-ribosyltransferase diphtheria toxin-like 1 | ADPRT | ADPRT 1 | ARTD1 | DNA ADP-ribosyltransferase PARP1 | Human diphtheria toxin-like ADP-ribosyltransferase (ARTD1 or PARP1) | NAD(+) ADP-ribosyltransferase 1 | NT-PARP-1 | PARP-1 | PARP1 | PARP1_HUMAN | PPOL | Poly [ADP-ribose] polymerase (PARP) | Poly [ADP-ribose] polymerase 1 (PARP) | Poly [ADP-ribose] polymerase 1 (PARP-1) | Poly [ADP-ribose] polymerase 1 (PARP1) | Poly [ADP-ribose] polymerase 1, 24-kDa form | Poly [ADP-ribose] polymerase 1, 28-kDa form | Poly [ADP-ribose] polymerase 1, 89-kDa form | Poly [ADP-ribose] polymerase 1, processed C-terminus | Poly [ADP-ribose] polymerase 1, processed N-terminus | Poly [ADP-ribose] polymerase-1 | Poly(ADP-ribose) polymerase 1 (PARP1) | Poly(ADP-ribose) polymerase-1 (ARTD1/PARP1) | Poly[ADP-ribose] synthase 1 | Protein poly-ADP-ribosyltransferase PARP1 | Synonyms=ADPRT |
Type: | n/a |
Mol. Mass.: | 113114.22 |
Organism: | Homo sapiens (Human) |
Description: | P09874 |
Residue: | 1014 |
Sequence: | MAESSDKLYRVEYAKSGRASCKKCSESIPKDSLRMAIMVQSPMFDGKVPHWYHFSCFWKV
GHSIRHPDVEVDGFSELRWDDQQKVKKTAEAGGVTGKGQDGIGSKAEKTLGDFAAEYAKS
NRSTCKGCMEKIEKGQVRLSKKMVDPEKPQLGMIDRWYHPGCFVKNREELGFRPEYSASQ
LKGFSLLATEDKEALKKQLPGVKSEGKRKGDEVDGVDEVAKKKSKKEKDKDSKLEKALKA
QNDLIWNIKDELKKVCSTNDLKELLIFNKQQVPSGESAILDRVADGMVFGALLPCEECSG
QLVFKSDAYYCTGDVTAWTKCMVKTQTPNRKEWVTPKEFREISYLKKLKVKKQDRIFPPE
TSASVAATPPPSTASAPAAVNSSASADKPLSNMKILTLGKLSRNKDEVKAMIEKLGGKLT
GTANKASLCISTKKEVEKMNKKMEEVKEANIRVVSEDFLQDVSASTKSLQELFLAHILSP
WGAEVKAEPVEVVAPRGKSGAALSKKSKGQVKEEGINKSEKRMKLTLKGGAAVDPDSGLE
HSAHVLEKGGKVFSATLGLVDIVKGTNSYYKLQLLEDDKENRYWIFRSWGRVGTVIGSNK
LEQMPSKEDAIEHFMKLYEEKTGNAWHSKNFTKYPKKFYPLEIDYGQDEEAVKKLTVNPG
TKSKLPKPVQDLIKMIFDVESMKKAMVEYEIDLQKMPLGKLSKRQIQAAYSILSEVQQAV
SQGSSDSQILDLSNRFYTLIPHDFGMKKPPLLNNADSVQAKVEMLDNLLDIEVAYSLLRG
GSDDSSKDPIDVNYEKLKTDIKVVDRDSEEAEIIRKYVKNTHATTHNAYDLEVIDIFKIE
REGECQRYKPFKQLHNRRLLWHGSRTTNFAGILSQGLRIAPPEAPVTGYMFGKGIYFADM
VSKSANYCHTSQGDPIGLILLGEVALGNMYELKHASHISKLPKGKHSVKGLGKTTPDPSA
NISLDGVDVPLGTGISSGVNDTSLLYNEYIVYDIAQVNLKYLLKLKFNFKTSLW
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BDBM50446130 |
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n/a |
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Name | BDBM50446130 |
Synonyms: | AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucaparib |
Type | Small organic molecule |
Emp. Form. | C19H18FN3O |
Mol. Mass. | 323.3641 |
SMILES | CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 |
Structure |
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