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Target
Tyrosine-protein kinase Yes
Ligand
BDBM50043380
Substrate
n/a
Meas. Tech.
ChEMBL_1444850 (CHEMBL3379620)
IC50
30±n/a nM
Citation
 Johnson, CN; Adelinet, C; Berdini, V; Beke, L; Bonnet, P; Brehmer, D; Calo, F; Coyle, JE; Day, PJ; Frederickson, M; Freyne, EJ; Gilissen, RA; Hamlett, CC; Howard, S; Meerpoel, L; Mevellec, L; McMenamin, R; Pasquier, E; Patel, S; Rees, DC; Linders, JT Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. ACS Med Chem Lett 6:31-6 (2015) [PubMed]  Article 
Target
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:
MGCIKSKENKSPAIKYRPENTPEPVSTSVSHYGAEPTTVSPCPSSSAKGTAVNFSSLSMTPFGGSSGVTPFGGASSSFSVVPSSYPAGLTGGVTIFVALYDYEARTTEDLSFKKGERFQIINNTEGDWWEARSIATGKNGYIPSNYVAPADSIQAEEWYFGKMGRKDAERLLLNPGNQRGIFLVRESETTKGAYSLSIRDWDEIRGDNVKHYKIRKLDNGGYYITTRAQFDTLQKLVKHYTEHADGLCHKLTTVCPTVKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTKVAIKTLKPGTMMPEAFLQEAQIMKKLRHDKLVPLYAVVSEEPIYIVTEFMSKGSLLDFLKEGDGKYLKLPQLVDMAAQIADGMAYIERMNYIHRDLRAANILVGENLVCKIADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILQTELVTKGRVPYPGMVNREVLEQVERGYRMPCPQGCPESLHELMNLCWKKDPDERPTFEYIQSFLEDYFTATEPQYQPGENL
  
Inhibitor
Name:
BDBM50043380
Synonyms:
CHEMBL3355065
Type:
Small organic molecule
Emp. Form.:
C25H25F3N4O
Mol. Mass.:
454.4874
SMILES:
CNc1cc2ccc(cc2cn1)C#CCOc1ccc(CN2CCNCC2)c(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: