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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | LIM domain kinase 1 | ||
| Ligand | BDBM50591090 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2199836 (CHEMBL5112352) | ||
| IC50 | 76±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 1 | |||
| Name: | LIM domain kinase 1 | ||
| Synonyms: | LIMK | LIMK-1 | LIMK1 | LIMK1_HUMAN | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 72591.81 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | gi_4505001 | ||
| Residue: | 647 | ||
| Sequence: |
| ||
| 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 | 
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