Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Tyrosine-protein kinase Yes | ||
Ligand | BDBM378885 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2084880 (CHEMBL4766143) | ||
IC50 | 1.000000±n/a nM | ||
Citation | Zhang, CH; Chen, K; Jiao, Y; Li, LL; Li, YP; Zhang, RJ; Zheng, MW; Zhong, L; Huang, SZ; Song, CL; Lin, WT; Yang, J; Xiang, R; Peng, B; Han, JH; Lu, GW; Wei, YQ; Yang, SY From Lead to Drug Candidate: Optimization of 3-(Phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Derivatives as Agents for the Treatment of Triple Negative Breast Cancer. J Med Chem59:9788-9805 (2016) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Tyrosine-protein kinase Yes | |||
Name: | Tyrosine-protein kinase Yes | ||
Synonyms: | Proto-oncogene c-Yes | VHL/Tyrosine-protein kinase Yes | YES | YES1 | YES_HUMAN | p61-yes | ||
Type: | Protein | ||
Mol. Mass.: | 60801.54 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P07947 | ||
Residue: | 543 | ||
Sequence: |
| ||
BDBM378885 | |||
n/a | |||
Name | BDBM378885 | ||
Synonyms: | US10266537, Compound 93 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H27F3N6O2 | ||
Mol. Mass. | 548.5589 | ||
SMILES | Cc1ccc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)cc1C#Cc1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12 |r,wU:26.27,wD:29.31,(-5.46,5.4,;-3.98,5.8,;-3.58,7.29,;-2.09,7.69,;-1,6.6,;.49,7,;1.57,5.91,;1.18,4.42,;3.06,6.31,;3.46,7.79,;4.95,8.19,;6.04,7.1,;7.53,7.5,;5.64,5.62,;4.15,5.22,;6.73,4.53,;8.22,4.93,;6.33,3.04,;7.82,3.44,;-1.4,5.11,;-2.89,4.71,;-3.29,3.22,;-3.68,1.74,;-4.08,.25,;-3.18,-1,;-4.08,-2.24,;-3.68,-3.73,;-2.2,-4.13,;-1.8,-5.62,;-2.89,-6.7,;-2.49,-8.19,;-4.38,-6.31,;-4.77,-4.82,;-5.55,-1.77,;-6.88,-2.54,;-8.22,-1.77,;-8.22,-.23,;-6.88,.54,;-6.88,2.08,;-5.55,-.23,)| | ||
Structure |