BindingDB Entry 9517: Bicyclic heterocyclic derivatives

Mendeley Data2024-03-27 更新2024-06-27 收录

药物发现

蛋白质结合

数据链接：

https://www.bindingdb.org/entry/9517 数据链接链接失效反馈

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资源简介：

Small molecule binding data for protein [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, Uniprot Q15119

创建时间：

2023-06-28

Machine learning-based predictive models for identifying high active compounds against HIV-1 integrase

药物发现

机器学习

HIV-integrase is an important drug target because it catalyzes chromosomal integration of proviral DNA towards establishing latent infection. Computer-aided drug design has immensely contributed to id

DataCite Commons2022-05-18 更新120

Kamyar-zeinalipour/Protein-drug-pair-v2

药物发现

生物信息学

该数据集包含了化合物的化学信息（如化学文摘服务号（ChEMBL ID）、标准SMILES表示）、生物目标信息（如目标ChEMBL ID、首选名称）、生物序列信息（如生物体、蛋白质序列）等。数据集分为训练集和测试集，其中训练集包含了304,138个示例，测试集包含了10,782个示例。数据集的总体大小为468,177,230字节。

Hugging Face2024-12-26 更新90

BindingDB Entry 10755: Formulations of Tie-2 activators and methods of use thereof

药物发现

生物化学

Small molecule binding data for protein Receptor-type tyrosine-protein phosphatase beta, Uniprot P23467

Mendeley Data2024-03-27 更新70

A SAR and QSAR study on 3CLpro inhibitors of SARS-CoV-2 using machine learning methods

药物发现

机器学习

The 3C-like Proteinase (3CLpro) of novel coronaviruses is intricately linked to viral replication, making it a crucial target for antiviral agents. In this study, we employed two fingerprint descripto

DataCite Commons2024-09-09 更新100

Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in - vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor

药物发现

抗癌研究

A lysine-specific demethylase is an enzyme that selectively eliminates methyl groups from lysine residues. KDM5A, also known as JARID1A or RBP2, belongs to the KDM5 Jumonji histone demethylase subfami

DataCite Commons2025-11-12 更新70

BindingDB Entry 9517: Bicyclic heterocyclic derivatives

资源简介：

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