Reaction Details | |||
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Target | Tyrosine-protein kinase ABL1 | ||
Ligand | BDBM50355491 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_806864 (CHEMBL1958992) | ||
Ki | 400±n/a nM | ||
Citation | Heidary, DK; Huang, G; Boucher, D; Ma, J; Forster, C; Grey, R; Xu, J; Arnost, M; Choquette, D; Chen, G; Zhou, JH; Yao, YM; Ball, ED; Namchuk, M; Davies, RJ; Henkel, G VX-322: a novel dual receptor tyrosine kinase inhibitor for the treatment of acute myelogenous leukemia. J Med Chem55:725-34 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Tyrosine-protein kinase ABL1 | |||
Name: | Tyrosine-protein kinase ABL1 | ||
Synonyms: | ABL | ABL1 | ABL1_HUMAN | Abelson murine leukemia viral oncogene homolog 1 | JTK7 | Proto-oncogene c-Abl | Proto-oncogene tyrosine-protein kinase ABL1 | Tyrosine-protein kinase (ABL) | Tyrosine-protein kinase ABL | Tyrosine-protein kinase ABL1 (ABL) | V-abl Abelson murine leukemia viral oncogene homolog 1 | c-ABL | p150 | tyrosine-protein kinase ABL1 isoform a | ||
Type: | Enzyme | ||
Mol. Mass.: | 122897.30 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P00519 | ||
Residue: | 1130 | ||
Sequence: |
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BDBM50355491 | |||
n/a | |||
Name | BDBM50355491 | ||
Synonyms: | CHEMBL1835870 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H29N7O | ||
Mol. Mass. | 419.5227 | ||
SMILES | Nc1nc(Nc2ccc(cc2)[C@H]2CC[C@@H](CC2)N2CCOCC2)nn1-c1ccccn1 |r,wU:11.11,wD:14.18,(-9.05,.18,;-7.58,.64,;-7.09,2.1,;-5.55,2.08,;-4.8,3.43,;-3.26,3.44,;-2.48,2.12,;-.94,2.14,;-.18,3.48,;-.98,4.81,;-2.52,4.79,;1.35,3.5,;2.1,4.85,;3.65,4.86,;4.44,3.53,;3.68,2.19,;2.14,2.18,;5.97,3.55,;6.75,2.22,;8.29,2.23,;9.05,3.57,;8.27,4.9,;6.73,4.89,;-5.09,.62,;-6.35,-.28,;-6.36,-1.81,;-5.04,-2.59,;-5.05,-4.13,;-6.39,-4.89,;-7.72,-4.11,;-7.71,-2.57,)| | ||
Structure |