Ki Summary

Reaction Details

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Target

Poly [ADP-ribose] polymerase tankyrase-1

Ligand

BDBM50557889

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2060530 (CHEMBL4715531)

IC50

63±n/a nM

Citation

Qin, D; Lin, X; Liu, Z; Chen, Y; Zhang, Z; Wu, C; Liu, L; Pan, Y; Laquerre, S; Emery, J; Fergusson, J; Roland, K; Keenan, R; Oliff, A; Kumar, S; Cheung, M; Su, DS Discovery of Orally Bioavailable Ligand Efficient Quinazolindiones as Potent and Selective Tankyrases Inhibitors. ACS Med Chem Lett12:1005-1010 (2021) [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

BDBM50557889

n/a

Name

BDBM50557889

Synonyms:

CHEMBL4780670

Type

Small organic molecule

Emp. Form.

C28H26N6O3

Mol. Mass.

494.5444

SMILES

O=C(Nc1ccncc1)[C@H]1CC[C@H](Cn2c(=O)n(Cc3ccccc3C#N)c3cnccc3c2=O)CC1 |r,wU:9.9,wD:12.13,(62.29,-50.17,;62.29,-48.63,;63.62,-47.86,;64.96,-48.64,;64.95,-50.17,;66.28,-50.95,;67.62,-50.18,;67.62,-48.63,;66.28,-47.86,;60.96,-47.86,;59.62,-48.63,;58.29,-47.87,;58.3,-46.32,;56.96,-45.55,;55.63,-46.33,;55.64,-47.88,;56.97,-48.65,;54.29,-48.66,;54.3,-50.2,;52.96,-50.98,;51.63,-50.21,;50.3,-50.98,;50.3,-52.52,;51.65,-53.29,;52.97,-52.51,;54.32,-53.27,;55.66,-54.03,;52.95,-47.89,;51.61,-48.66,;50.28,-47.89,;50.28,-46.35,;51.61,-45.58,;52.94,-46.34,;54.28,-45.55,;54.27,-44.01,;59.62,-45.55,;60.96,-46.32,)|

Structure