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Target
Proto-oncogene tyrosine-protein kinase Src
Ligand
BDBM50357312
Substrate
n/a
Meas. Tech.
ChEMBL_1883983 (CHEMBL4385482)
IC50
38±n/a nM
Citation
 Schnute, ME; Benoit, SE; Buchler, IP; Caspers, N; Grapperhaus, ML; Han, S; Hotchandani, R; Huang, N; Hughes, RO; Juba, BM; Kim, KH; Liu, E; McCarthy, E; Messing, D; Miyashiro, JS; Mohan, S; O'Connell, TN; Ohren, JF; Parikh, MD; Schmidt, M; Selness, SR; Springer, JR; Thanabal, V; Trujillo, JI; Walker, DP; Wan, ZK; Withka, JM; Wittwer, AJ; Wood, NL; Xing, L; Zapf, CW; Douhan, J Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning. ACS Med Chem Lett 10:80-85 (2019) [PubMed]  Article 
Target
Name:
Proto-oncogene tyrosine-protein kinase Src
Synonyms:
Calmodulin/Proto-oncogene tyrosine-protein kinase Src | Protein cereblon/Tyrosine-protein kinase SRC | Proto-oncogene c-Src | Proto-oncogene tyrosine-protein kinase Src (c-Src) | SRC | SRC1 | SRC_HUMAN | Tyrosine-protein kinase Src (SRC) | V-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog (avian) | c-Src | p60-Src | pp60c-src
Type:
Protein
Mol. Mass.:
59838.60
Organism:
Homo sapiens (Human)
Description:
P12931
Residue:
536
Sequence:
MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGPSAAFAPAAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGETGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
  
Inhibitor
Name:
BDBM50357312
Synonyms:
IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compound 1 | US10711006, Compound Ibrutinib | US10793575, Example ibrutinib | US10835536, Ref. Ex. Comp 1 | US10919899, Ibrutinib | US11078206, Example Ibrutinib | US11186578, Example Ibrutinib | US11339167, Example Ibrutinib | US11407754, Example Ibrutinib | US20230364079, Example Ibrutinib | US20240059694, Compound Ibrutinib | US9108973, Ref 1 | US9181263, 1 | US9278100, 1
Type:
Small organic molecule
Emp. Form.:
C25H24N6O2
Mol. Mass.:
440.4971
SMILES:
Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C
Structure:
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