Ki Summary

Reaction Details

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Target

Poly [ADP-ribose] polymerase tankyrase-1

Ligand

BDBM50557885

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2060530 (CHEMBL4715531)

IC50

3.2±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

BDBM50557885

n/a

Name

BDBM50557885

Synonyms:

CHEMBL4788947

Type

Small organic molecule

Emp. Form.

C31H27F4N5O3

Mol. Mass.

593.5714

SMILES

Cc1c(F)ccc2n(Cc3cccc(c3C#N)C(F)(F)F)c(=O)n(C[C@H]3CC[C@@H](CC3)C(=O)Nc3ccncc3)c(=O)c12 |r,wU:28.32,wD:25.25,(27.49,-28.12,;27.49,-29.66,;26.16,-30.43,;24.83,-29.65,;26.16,-31.97,;27.49,-32.74,;28.83,-31.97,;30.17,-32.74,;30.18,-34.28,;28.85,-35.06,;27.51,-34.28,;26.18,-35.06,;26.19,-36.6,;27.53,-37.36,;28.86,-36.59,;30.2,-37.35,;31.54,-38.11,;27.54,-38.9,;26.13,-39.6,;29.13,-39.04,;27.38,-40.35,;31.52,-31.96,;32.85,-32.73,;31.51,-30.41,;32.84,-29.63,;34.18,-30.4,;34.18,-31.94,;35.5,-32.71,;36.84,-31.94,;36.84,-30.4,;35.5,-29.63,;38.17,-32.71,;38.17,-34.25,;39.51,-31.94,;40.84,-32.72,;40.83,-34.25,;42.17,-35.03,;43.5,-34.26,;43.5,-32.71,;42.16,-31.94,;30.16,-29.63,;30.16,-28.09,;28.83,-30.42,)|

Structure