Ki Summary

Reaction Details

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Target

Dual specificity tyrosine-phosphorylation-regulated kinase 3

Ligand

BDBM50512318

Substrate

n/a

Meas. Tech.

ChEMBL_1848564 (CHEMBL4349105)

IC50

0.104000±n/a nM

Citation

Riggs, JR; Elsner, J; Cashion, D; Robinson, D; Tehrani, L; Nagy, M; Fultz, KE; Krishna Narla, R; Peng, X; Tran, T; Kulkarni, A; Bahmanyar, S; Condroski, K; Pagarigan, B; Fenalti, G; LeBrun, L; Leftheris, K; Zhu, D; Boylan, JF Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy. J Med Chem 62:4401-4410 (2019) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Target

Name:

Dual specificity tyrosine-phosphorylation-regulated kinase 3

Synonyms:

DYRK3 | DYRK3_HUMAN | Dual-specificity tyrosine-phosphorylation regulated kinase 3

Type:

PROTEIN

Mol. Mass.:

65747.26

Organism:

Homo sapiens (Human)

Description:

ChEMBL_1508026

Residue:

588

Sequence:

MGGTARGPGRKDAGPPGAGLPPQQRRLGDGVYDTFMMIDETKCPPCSNVLCNPSEPPPPRRLNMTTEQFTGDHTQHFLDGGEMKVEQLFQEFGNRKSNTIQSDGISDSEKCSPTVSQGKSSDCLNTVKSNSSSKAPKVVPLTPEQALKQYKHHLTAYEKLEIINYPEIYFVGPNAKKRHGVIGGPNNGGYDDADGAYIHVPRDHLAYRYEVLKIIGKGSFGQVARVYDHKLRQYVALKMVRNEKRFHRQAAEEIRILEHLKKQDKTGSMNVIHMLESFTFRNHVCMAFELLSIDLYELIKKNKFQGFSVQLVRKFAQSILQSLDALHKNKIIHCDLKPENILLKHHGRSSTKVIDFGSSCFEYQKLYTYIQSRFYRAPEIILGSRYSTPIDIWSFGCILAELLTGQPLFPGEDEGDQLACMMELLGMPPPKLLEQSKRAKYFINSKGIPRYCSVTTQADGRVVLVGGRSRRGKKRGPPGSKDWGTALKGCDDYLFIEFLKRCLHWDPSARLTPAQALRHPWISKSVPRPLTTIDKVSGKRVVNPASAFQGLGSKLPPVVGIANKLKANLMSETNGSIPLCSVLPKLIS

Inhibitor

Name:

BDBM50512318

Synonyms:

CHEMBL4546504

Type:

Small organic molecule

Emp. Form.:

C25H29ClF3N5O4

Mol. Mass.:

555.977

SMILES:

C[C@@H](Oc1cc(ccc1Nc1nc(O[C@H]2CC[C@@](C)(O)CC2)c2c(Cl)c[nH]c2n1)C(=O)N(C)C)C(F)(F)F |r,wU:17.19,14.14,1.0,(59.2,-50.35,;60.54,-51.12,;61.87,-50.34,;61.86,-48.8,;60.53,-48.04,;60.52,-46.49,;61.86,-45.72,;63.19,-46.49,;63.18,-48.03,;64.52,-48.8,;65.85,-48.03,;65.85,-46.49,;67.18,-45.72,;67.18,-44.18,;65.84,-43.41,;64.51,-44.19,;63.18,-43.42,;63.17,-41.87,;62.4,-40.53,;61.63,-41.87,;64.51,-41.11,;65.84,-41.87,;68.52,-46.48,;69.98,-46,;70.45,-44.53,;70.89,-47.24,;70,-48.49,;68.53,-48.02,;67.18,-48.8,;59.19,-45.72,;59.19,-44.18,;57.86,-46.49,;56.52,-45.72,;57.86,-48.03,;60.54,-52.66,;59.21,-53.43,;61.88,-53.42,;60.53,-54.19,)|

Structure: