Ki Summary

Reaction Details

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Target

Poly [ADP-ribose] polymerase tankyrase-1

Ligand

BDBM50082111

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1475151 (CHEMBL3424869)

IC50

18000±n/a nM

Citation

Nencini, A; Pratelli, C; Quinn, JM; Salerno, M; Tunici, P; De Robertis, A; Valensin, S; Mennillo, F; Rossi, M; Bakker, A; Benicchi, T; Cappelli, F; Turlizzi, E; Nibbio, M; Caradonna, NP; Zanelli, U; Andreini, M; Magnani, M; Varrone, M Structure-activity relationship and properties optimization of a series of quinazoline-2,4-diones as inhibitors of the canonical Wnt pathway. Eur J Med Chem95:526-45 (2015) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Poly [ADP-ribose] polymerase tankyrase-1

Name:

Poly [ADP-ribose] polymerase tankyrase-1

Synonyms:

Type:

Enzyme

Mol. Mass.:

142058.03

Organism:

Homo sapiens (Human)

Description:

O95271

Residue:

1327

Sequence:

MAASRRSQHHHHHHQQQLQPAPGASAPPPPPPPPLSPGLAPGTTPASPTASGLAPFASPR
HGLALPEGDGSRDPPDRPRSPDPVDGTSCCSTTSTICTVAAAPVVPAVSTSSAAGVAPNP
AGSGSNNSPSSSSSPTSSSSSSPSSPGSSLAESPEAAGVSSTAPLGPGAAGPGTGVPAVS
GALRELLEACRNGDVSRVKRLVDAANVNAKDMAGRKSSPLHFAAGFGRKDVVEHLLQMGA
NVHARDDGGLIPLHNACSFGHAEVVSLLLCQGADPNARDNWNYTPLHEAAIKGKIDVCIV
LLQHGADPNIRNTDGKSALDLADPSAKAVLTGEYKKDELLEAARSGNEEKLMALLTPLNV
NCHASDGRKSTPLHLAAGYNRVRIVQLLLQHGADVHAKDKGGLVPLHNACSYGHYEVTEL
LLKHGACVNAMDLWQFTPLHEAASKNRVEVCSLLLSHGADPTLVNCHGKSAVDMAPTPEL
RERLTYEFKGHSLLQAAREADLAKVKKTLALEIINFKQPQSHETALHCAVASLHPKRKQV
TELLLRKGANVNEKNKDFMTPLHVAAERAHNDVMEVLHKHGAKMNALDTLGQTALHRAAL
AGHLQTCRLLLSYGSDPSIISLQGFTAAQMGNEAVQQILSESTPIRTSDVDYRLLEASKA
GDLETVKQLCSSQNVNCRDLEGRHSTPLHFAAGYNRVSVVEYLLHHGADVHAKDKGGLVP
LHNACSYGHYEVAELLVRHGASVNVADLWKFTPLHEAAAKGKYEICKLLLKHGADPTKKN
RDGNTPLDLVKEGDTDIQDLLRGDAALLDAAKKGCLARVQKLCTPENINCRDTQGRNSTP
LHLAAGYNNLEVAEYLLEHGADVNAQDKGGLIPLHNAASYGHVDIAALLIKYNTCVNATD
KWAFTPLHEAAQKGRTQLCALLLAHGADPTMKNQEGQTPLDLATADDIRALLIDAMPPEA
LPTCFKPQATVVSASLISPASTPSCLSAASSIDNLTGPLAELAVGGASNAGDGAAGTERK
EGEVAGLDMNISQFLKSLGLEHLRDIFETEQITLDVLADMGHEELKEIGINAYGHRHKLI
KGVERLLGGQQGTNPYLTFHCVNQGTILLDLAPEDKEYQSVEEEMQSTIREHRDGGNAGG
IFNRYNVIRIQKVVNKKLRERFCHRQKEVSEENHNHHNERMLFHGSPFINAIIHKGFDER
HAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPTHKDRSCYICHRQMLFCRVTLGKSF
LQFSTMKMAHAPPGHHSVIGRPSVNGLAYAEYVIYRGEQAYPEYLITYQIMKPEAPSQTA
TAAEQKT

BDBM50082111

n/a

Name

BDBM50082111

Synonyms:

CHEMBL3422630

Type

Small organic molecule

Emp. Form.

C25H34N4O6

Mol. Mass.

486.5607

SMILES

COCC(=O)N1CCN(CC1)C(=O)[C@H]1CC[C@H](Cn2c(=O)n(C)c3ccc(OC)cc3c2=O)CC1 |r,wU:16.17,wD:13.13,(-16.01,5.07,;-16.01,3.84,;-14.68,3.07,;-14.68,1.53,;-15.75,.91,;-13.35,.75,;-13.35,-.79,;-12.02,-1.56,;-10.68,-.79,;-10.68,.75,;-12.02,1.52,;-9.35,-1.56,;-9.34,-2.79,;-8.01,-.78,;-6.68,-1.55,;-5.34,-.78,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;4,1.54,;5.06,.92,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-6.69,1.53,;-8.02,.76,)|

Structure