Reaction Details Report a problem with these data
Target
Protein-tyrosine kinase 6
Ligand
BDBM378885
Substrate
n/a
Meas. Tech.
ChEMBL_2084887 (CHEMBL4766150)
IC50
121±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 Chem 59:9788-9805 (2016) [PubMed]  Article 
Target
Name:
Protein-tyrosine kinase 6
Synonyms:
BRK | Breast tumor kinase | KH domain-containing, RNA-binding, signal transduction-associated protein 1 | PTK6 | PTK6_HUMAN | Protein-tyrosine kinase 6 (BRK) | Tyrosine Kinase BRK | Tyrosine-protein kinase 6 | Tyrosine-protein kinase BRK
Type:
Tyrosine-protein kinase
Mol. Mass.:
51839.11
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
451
Sequence:
MVSRDQAHLGPKYVGLWDFKSRTDEELSFRAGDVFHVARKEEQWWWATLLDEAGGAVAQGYVPHNYLAERETVESEPWFFGCISRSEAVRRLQAEGNATGAFLIRVSEKPSADYVLSVRDTQAVRHYKIWRRAGGRLHLNEAVSFLSLPELVNYHRAQSLSHGLRLAAPCRKHEPEPLPHWDDWERPREEFTLCRKLGSGYFGEVFEGLWKDRVQVAIKVISRDNLLHQQMLQSEIQAMKKLRHKHILALYAVVSVGDPVYIITELMAKGSLLELLRDSDEKVLPVSELLDIAWQVAEGMCYLESQNYIHRDLAARNILVGENTLCKVGDFGLARLIKEDVYLSHDHNIPYKWTAPEALSRGHYSTKSDVWSFGILLHEMFSRGQVPYPGMSNHEAFLRVDAGYRMPCPLECPPSVHKLMLTCWCRDPEQRPCFKALRERLSSFTSYENPT
  
Inhibitor
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:
Search PDB for entries with ligand similarity: