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Volumn 23, Issue 4, 2013, Pages 979-984

Discovery of potent, selective and orally bioavailable imidazo[1,5-a] pyrazine derived ACK1 inhibitors

Author keywords

Activated Cdc42 associated kinase (ACK1); Cancer; Imidazo 1,5 a pyrazine; Inhibitors; Structure activity relationships (SAR)

Indexed keywords

ACTIVATED CDC42 ASSOCIATED KINASE; IMIDAZO[1,5 A]PYRAZINE DERIVATIVE; PHOSPHOTRANSFERASE; PHOSPHOTRANSFERASE INHIBITOR; PYRAZINE DERIVATIVE; UNCLASSIFIED DRUG;

EID: 84872981225     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2012.12.042     Document Type: Article
Times cited : (19)

References (22)
  • 17
    • 84872945088 scopus 로고    scopus 로고
    • The calculations were performed with Jaguar program version 6.5 licensed from Schrodinger, Inc., Poland, OR.
    • The calculations were performed with Jaguar program version 6.5 licensed from Schrodinger, Inc., Poland, OR. The B3LYP functional and 6-31G basis set were used. To obtain the free state conformation of a compound, the geometrical optimizations with multiple starting points were performed.
  • 19
    • 84872914935 scopus 로고    scopus 로고
    • note
    • 2 = 0.76).
  • 20
    • 84872953411 scopus 로고    scopus 로고
    • note
    • Compound 42 showed >80% inhibition to following kinases (other than ACK1) when screened at 1.0 μM against 216 kinases: BLK, FGR, FRK, FYN, HCK, LCK, LYNB, SRC, SRMS, TEC, TXK, YES.
  • 21
    • 84872965767 scopus 로고    scopus 로고
    • note
    • Selectivity score is a quantitative measure of compound selectivity. It is calculated as such: selectivity score = (number of hits)/(number of assays). S(10) is calculated using 10% control as a potency threshold: S(10) = (number of kinases with % control <10)/(number of kinases tested). Further information regarding to selectivity score is available at http://www.kinomescan.com.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.