Reaction Details | |||
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Target | LIM domain kinase 2 | ||
Ligand | BDBM50591090 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2199837 (CHEMBL5112353) | ||
IC50 | 26±n/a nM | ||
Citation | Collins, R; Lee, H; Jones, DH; Elkins, JM; Gillespie, JA; Thomas, C; Baldwin, AG; Jones, K; Waters, L; Paine, M; Atack, JR; Ward, SE; Grubisha, O; Foley, DW Comparative Analysis of Small-Molecule LIMK1/2 Inhibitors: Chemical Synthesis, Biochemistry, and Cellular Activity. J Med Chem65:13705-13713 (2022) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
LIM domain kinase 2 | |||
Name: | LIM domain kinase 2 | ||
Synonyms: | LIMK2 | LIMK2_HUMAN | ||
Type: | PROTEIN | ||
Mol. Mass.: | 72238.81 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_1514398 | ||
Residue: | 638 | ||
Sequence: |
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BDBM50591090 | |||
n/a | |||
Name | BDBM50591090 | ||
Synonyms: | CHEMBL2141887 | ||
Type | Small organic molecule | ||
Emp. Form. | C17H14Cl2F2N4OS | ||
Mol. Mass. | 431.287 | ||
SMILES | CC(C)C(=O)Nc1ncc(s1)-c1cc(nn1-c1c(Cl)cccc1Cl)C(F)F |(.04,3.6,;-1.29,2.83,;-2.62,3.6,;-1.29,1.29,;.04,.52,;-2.62,.52,;-2.62,-1.02,;-1.38,-1.93,;-1.85,-3.39,;-3.39,-3.39,;-3.87,-1.93,;-4.3,-4.64,;-5.84,-4.64,;-6.31,-6.1,;-5.07,-7.01,;-3.82,-6.1,;-2.36,-6.58,;-1.21,-5.55,;-1.53,-4.04,;.25,-6.03,;.57,-7.53,;-.57,-8.56,;-2.04,-8.09,;-3.18,-9.12,;-7.78,-6.58,;-8.92,-5.55,;-8.1,-8.09,)| | ||
Structure |