Ki Summary

Reaction Details

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Target

Poly [ADP-ribose] polymerase tankyrase-1

Ligand

BDBM50444583

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2267468

IC50

2.0±n/a nM

Citation

Liu, Z; Wang, P; Wold, EA; Song, Q; Zhao, C; Wang, C; Zhou, J Small-Molecule Inhibitors Targeting the Canonical WNT Signaling Pathway for the Treatment of Cancer. J Med Chem64:4257-4288 (2021) [PubMed]

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

BDBM50444583

n/a

Name

BDBM50444583

Synonyms:

CHEMBL3099716 | US9340549, 74

Type

Small organic molecule

Emp. Form.

C26H29N5O2

Mol. Mass.

443.5408

SMILES

CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(49.17,-3.5,;50.51,-4.26,;49.19,-5.04,;51.4,-3,;52.87,-3.46,;54.11,-2.55,;52.89,-5,;51.43,-5.5,;50.7,-6.85,;49.16,-6.89,;48.43,-8.25,;49.24,-9.56,;50.79,-9.51,;51.51,-8.15,;54.14,-5.9,;54.14,-7.45,;55.47,-8.22,;56.81,-7.45,;56.8,-5.9,;55.47,-5.13,;58.14,-8.21,;59.46,-7.44,;60.8,-8.2,;60.8,-9.75,;62.14,-10.52,;59.47,-10.52,;58.14,-9.76,;59.47,-12.05,;58.14,-12.83,;58.14,-14.36,;59.47,-15.13,;60.81,-14.35,;60.8,-12.82,)|

Structure