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Target
Proto-oncogene tyrosine-protein kinase Src
Ligand
BDBM50314074
Substrate
n/a
Meas. Tech.
ChEMBL_1587510 (CHEMBL3825319)
IC50
0.450000±n/a nM
Citation
 Huang, WS; Liu, S; Zou, D; Thomas, M; Wang, Y; Zhou, T; Romero, J; Kohlmann, A; Li, F; Qi, J; Cai, L; Dwight, TA; Xu, Y; Xu, R; Dodd, R; Toms, A; Parillon, L; Lu, X; Anjum, R; Zhang, S; Wang, F; Keats, J; Wardwell, SD; Ning, Y; Xu, Q; Moran, LE; Mohemmad, QK; Jang, HG; Clackson, T; Narasimhan, NI; Rivera, VM; Zhu, X; Dalgarno, D; Shakespeare, WC Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase. J Med Chem 59:4948-64 (2016) [PubMed]  Article 
Target
Name:
Proto-oncogene tyrosine-protein kinase Src
Synonyms:
Protein cereblon/Tyrosine-protein kinase SRC | Calmodulin/Proto-oncogene tyrosine-protein kinase Src | Proto-oncogene c-Src | Proto-oncogene tyrosine-protein kinase Src (c-Src) | Tyrosine-protein kinase Src (SRC) | V-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog (avian) | c-Src | p60-Src | pp60c-src | SRC_HUMAN | SRC | SRC1
Type:
Protein
Mol. Mass.:
59838.60
Organism:
Human
Description:
P12931
Residue:
536
Sequence:
MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGPSAAFAPAAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
  
Inhibitor
Name:
BDBM50314074
Synonyms:
2,6,9-Trisubstitute purine, 6 (AP23464) | CHEMBL1089405 | AP-23464 | 3-(2-(2-cyclopentyl-6-(4-(dimethylphosphoryl)phenylamino)-9H-purin-9-yl)ethyl)phenol | 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL
Type:
Small organic molecule
Emp. Form.:
C26 H30 N5 O2 P
Mol. Mass.:
475.52246
SMILES:
CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O
Structure:
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