2. Academic Validation
  3. Docking study yields four novel inhibitors of the protooncogene Pim-1 kinase

Docking study yields four novel inhibitors of the protooncogene Pim-1 kinase

  • J Med Chem. 2008 Mar 27;51(6):1972-5. doi: 10.1021/jm701248t.
Albert C Pierce 1,  Marc Jacobs,  Cameron Stuver-Moody
Affiliations

Affiliation

  • 1 Vertex Pharmaceuticals Incorporated, 130 Waverly Street, Cambridge, MA 02139, USA. al_pierce@vrtx.com
PMID: 18290603 DOI: 10.1021/jm701248t
Abstract

To supplement the hits from a high throughput screen, docking was performed against Pim-1 kinase. Glide docking was augmented with a filter to require traditional or aromatic CH..O hydrogen bonds to the kinase hinge. Four diverse actives, of 96 molecules assayed, had K(i) values between 0.091 and 4.5 microM. This gives a 14-fold enrichment over the earlier HTS run, and the two crystal structures solved confirmed the binding modes predicted by docking.

Figures
Products
  • Cat. No.
    Product Name
    Description
    Target
    Research Area
  • HY-108605
    ≥99.0%, Pim抑制剂
    Pim
嗨！很高兴为您提供帮助！

尊敬的 MCE 客户您好，
请您选择所在区域，我们将转接对应客服为您服务！

热门区域

A

B

C

F

G

H

J

L

N

Q

S

T

X

Y

Z

热 A B C F G H J L N Q S T X Y Z