Reaction Details  Report a problem with these data
Target
Proto-oncogene tyrosine-protein kinase Src
Ligand
BDBM416545
Substrate
n/a
Meas. Tech.
ChEMBL_1928611 (CHEMBL4431787)
IC50
>10000±n/a nM
Citation
 Vidadala, RS; Rivas, KL; Ojo, KK; Hulverson, MA; Zambriski, JA; Bruzual, I; Schultz, TL; Huang, W; Zhang, Z; Scheele, S; DeRocher, AE; Choi, R; Barrett, LK; Siddaramaiah, LK; Hol, WG; Fan, E; Merritt, EA; Parsons, M; Freiberg, G; Marsh, K; Kempf, DJ; Carruthers, VB; Isoherranen, N; Doggett, JS; Van Voorhis, WC; Maly, DJ Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis. J Med Chem 59:6531-46 (2016) [PubMed]  Article
Target
Name:
Proto-oncogene tyrosine-protein kinase Src
Synonyms:
Proto-oncogene c-Src | SRC | SRC_CHICK | Tyrosine-protein kinase SRC | c-Src | p60-Src | p60c-src | pp60c-src
Type:
Tyr protein kinase
Mol. Mass.:
60015.36
Organism:
Gallus gallus (Chicken)
Description:
P00523
Residue:
533
Sequence:
MGSSKSKPKDPSQRRRSLEPPDSTHHGGFPASQTPNKTAAPDTHRTPSRSFGTVATEPKLFGGFNTSDTVTSPQRAGALAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNPENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFSSLQQLVAYYSKHADGLCHRLTNVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMSKGSLLDFLKGEMGKYLRLPQLVDMAAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKDPEERPTFEYLQAFLEDYFTSTEPQYQPGENL
  
Inhibitor
Name:
BDBM416545
Synonyms:
US10307425, Example 11 | US10632122, Example 11
Type:
Small organic molecule
Emp. Form.:
C25H30N6O2
Mol. Mass.:
446.5447
SMILES:
COCCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12
Structure:
Search PDB for entries with ligand similarity: