首页/数据集/Data for: Ligand based Design and Synthesis of Pyrazole Based Derivatives as Selective COX-2 Inhibitors

Data for: Ligand based Design and Synthesis of Pyrazole Based Derivatives as Selective COX-2 Inhibitors

NIAID Data Ecosystem2026-03-10 收录

药物设计

COX-2抑制剂

数据链接：

https://data.mendeley.com/datasets/b34b4wsr3n 数据链接链接失效反馈

官方服务：

资源简介：

The Supplementary data has been uploaded

应用场景：

创建时间：

2019-02-20

蛋白质晶体学

药物设计

Crystal structure of human c-Met kinase domain with its inhibitor Descriptor: CHLORIDE ION, Hepatocyte growth factor receptor, N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacet

Protein Data Bank Japan2024-05-29 更新110

Crystal Structures of Ask1-inhibitor Complexes

结构生物学

药物设计

Crystal Structures of Ask1-inhibitor Complexes Descriptor: 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine, ACETATE ION, MITOGEN-ACTIVATED PROTEIN KINASE KINAS

Protein Data Bank Japan2023-12-20 更新70

EGFR kinase domain complexed with compound 20a

分子结构

药物设计

EGFR kinase domain complexed with compound 20a Descriptor: 4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide, Epi

Protein Data Bank Japan2023-11-08 更新50

Energy values obtained in molecular docking calculations with survivin.

药物靶点对接

药物设计

Energy values obtained in molecular docking calculations with survivin.

NIAID Data Ecosystem80

Additional file 1 of QPHAR: quantitative pharmacophore activity relationship: method and validation

药物设计

药效团分析

Additional file 1. Metadata of all datasets used for CV studies with 20–80 split.

DataCite Commons2021-08-10 更新70