Reaction Details |
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Target | Poly [ADP-ribose] polymerase 1 |
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Ligand | BDBM27710 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_306013 (CHEMBL833529) |
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IC50 | 65±n/a nM |
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Citation | Hattori, K; Kido, Y; Yamamoto, H; Ishida, J; Kamijo, K; Murano, K; Ohkubo, M; Kinoshita, T; Iwashita, A; Mihara, K; Yamazaki, S; Matsuoka, N; Teramura, Y; Miyake, H Rational approaches to discovery of orally active and brain-penetrable quinazolinone inhibitors of poly(ADP-ribose)polymerase. J Med Chem47:4151-4 (2004) [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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BDBM27710 |
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n/a |
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Name | BDBM27710 |
Synonyms: | 5-Chloro-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-3H-quinazolin-4-one | 5-chloro-2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)quinazolin-4(3H)-one | 5-chloro-2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)yl)propyl)quinazolin-4(3H)-one | 5-chloro-2-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)propyl]-3,4-dihydroquinazolin-4-one | CHEMBL186418 | quinazolinone analogue, 1f |
Type | Small organic molecule |
Emp. Form. | C22H22ClN3O |
Mol. Mass. | 379.883 |
SMILES | Clc1cccc2nc(CCCN3CCC(=CC3)c3ccccc3)[nH]c(=O)c12 |c:14| |
Structure |
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