ChemBank statistics

Tool stats & trends

Looking to identify usage trends or leading experts?


ChemBank specifications


Unique identifier OMICS_02745
Name ChemBank
Restrictions to use None
Maintained No

Publications for ChemBank

ChemBank citations


Structure Based Virtual Screening Studies to Identify Novel Potential Compounds for GPR142 and Their Relative Dynamic Analysis for Study of Type 2 Diabetes

PMCID: 5817085
PMID: 29492402
DOI: 10.3389/fchem.2018.00023

[…] braries were namely; (1) Zinc, (2) SchrodingerDB, (3) TimTec, (4) PUBCHEM, (5) Not annotated NCI, (6) Marine, (7) DrugBank (Approved, Biotech, ILLICIT, Investigational, Nutraceutical, Withdrawn), (8) ChemBank, (9) Anti-HIV NCI, (10) DrugLikness NCI, (11) Asinex Ltd., and (12) ChEBI (Grotthuss et al., ; Irwin and Shoichet, ). Virtual screening was carried out in three phases: (a) Structure based vi […]


From chromatogram to analyte to metabolite. How to pick horses for courses from the massive web resources for mass spectral plant metabolomics

PMCID: 5499862
PMID: 28520864
DOI: 10.1093/gigascience/gix037

[…] try to summarize some of the most relevant and the structure and functionalities of the resources available.Chemspider [], PubChem [], Chemical Entities of Biological Interest (ChEBI) [], ChEMBL [], ChemBank [], HMDB [], MMCD [], and MMsINC [] are all large databases of small molecules with information such as chemical structure, molecular formula, and molecular/exact mass. Many of these database […]


Identification of Novel Inhibitors for Tobacco Mosaic Virus Infection in Solanaceae Plants

Adv Bioinformatics
PMCID: 4628775
PMID: 26557141
DOI: 10.1155/2015/198214

[…] The small molecule datasets chosen for this study include KEGG and ChemBank datasets from ligand info database, which is a comprehensive collection of publicly available databases. ChemBank ligand entries and KEGG ligand entries were downloaded from Ligand Info (http […]


Prioritizing Therapeutics for Lung Cancer: An Integrative Meta analysis of Cancer Gene Signatures and Chemogenomic Data

PLoS Comput Biol
PMCID: 4364883
PMID: 25786242
DOI: 10.1371/journal.pcbi.1004068

[…] We used drug-target data from DrugBank [] and ChemBank [] (as provided in MANTRA []) to construct a drug-drug interaction network on the set of CMap drugs; two drugs are linked by an edge if they share one or more protein targets (). In total, 83 […]


Identification of Potential Herbal Inhibitor of Acetylcholinesterase Associated Alzheimer's Disorders Using Molecular Docking and Molecular Dynamics Simulation

PMCID: 4099354
PMID: 25054066
DOI: 10.1155/2014/705451
call_split See protocol

[…] armacophores to 3D models of a protein is a good choice for drug discovery process. The wide range of tetrahydrocannabinol derivatives (Δ-9-THC) in the training set allowed for the screening of large ChemBank database ( The ligands were virtually screened on the basis of Lipinski's “rule of five” that sets the criteria for dru […]


An Infrastructure to Mine Molecular Descriptors for Ligand Selection on Virtual Screening

Biomed Res Int
PMCID: 4000951
PMID: 24812613
DOI: 10.1155/2014/325959

[…] we choose to consider this tool in our work.Besides the molecular docking tool, the VS strategy involves the use of ligand databases. As reviewed in [] the most important public compounds database is ChemBank [], ChemDB [], NCI Database [], PubChem [], and ZINC []. In this work we choose to use the ZINC database since it is a free database of commercially available compounds that contains over 22 […]


Looking to check out a full list of citations?

ChemBank institution(s)
Chemical Biology Program and Platform, Broad Institute of Harvard and MIT, Cambridge, MA, USA

ChemBank reviews

star_border star_border star_border star_border star_border
star star star star star

Be the first to review ChemBank