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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Serine/threonine-protein kinase Chk1 | ||
| Ligand | BDBM50224891 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_570759 | ||
| Ki | 0.316228±n/a nM | ||
| Citation |  Brown SP; Muchmore SW Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes. J Med Chem 52:3159-65 (2009) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Serine/threonine-protein kinase Chk1 | |||
| Name: | Serine/threonine-protein kinase Chk1/2 | ||
| Synonyms: | CHK1 checkpoint homolog | Checkpoint kinase-1 (CHK1) | Serine/threonine-protein kinase Chk1 | ||
| Type: | Enzyme Catalytic Domain | ||
| Mol. Mass.: | 54443.02 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | gi_166295192 | ||
| Residue: | 476 | ||
| Sequence: |
| ||
| BDBM50224891 | |||
| n/a | |||
| Name | BDBM50224891 | ||
| Synonyms: | (Z)-8-amino-7-chloro-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(21),5,7,9,13,17,19-heptaene-18-carbonitrile | 8-Amino-7-chloro-3-oxo-11,16-dioxa-2,4,19,21-tetraaza-tricyclo[15.3.1.0*5,10*]henicosa-1(20),5(10),6,8,13,17(21),18-heptaene-18-carbonitrile | CHEMBL249363 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C16H13ClN6O3 | ||
| Mol. Mass. | 372.766 | ||
| SMILES | Nc1cc2OC\C=C/COc3nc(NC(=O)Nc2cc1Cl)cnc3C#N |c:6| | ||
| Structure | 
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