ChEMBL Target Component Cross Reference Property
most basic pKa calculated by ACD/Labs PhysChem software library
ChEMBL Activity Data Validity Issue Flag
polar surface area descriptor calculated by Pipeline Pilot
rotatable bond count calculated by pipeline pilot
most acidic pKa calculated by ACD/Labs PhysChem software library
molecular weight calculated by pipeline pilot
ChEMBL Activity Entity Published Relation
ChEMBL Assay Target Confidence Description
ChEMBL Activity Entity Standard Relation
Association between ChEMBL Target and Cell Line
Wikipedia Target Component Cross Reference
Association between ChEMBL Target and Mechanism
relHasSubset relationship between ChEMBL Protein targets
relEquivalentTo relationship between ChEMBL Protein targets
hydrogen bond donor count calculated by pipeline pilot
logD calculated at pH 7.4 by ACD/Labs PhysChem software
Association between ChEMBL Cell Line and ChEMBL Target
Molecular Imaging and Contrast Agent Database (MICAD) Cross Reference
ChEMBL ProteinClassification Association
Link between a ChEMBL Entity and the Experimental Factor Ontology
Association between ChEMBL Binding Site and Mechanism
medchem friendly descriptor calculated by pipeline pilot
ChEMBL Assay Relationship Type Description
ChEMBL Activity Potential Duplicate Flag
relOverlapsWith relationship between ChEMBL Protein targets
weighted quantitative estimate of drug-likeness
Protein sequence for given ChEMBL entity
Association between ChEMBL Molecule and parent ChEMBL Molecule
Link between a ChEMBL Entity and the Cell Line Ontology
NIH National Human Genome Research Institute Clinical Genomic Database (CGD) Cross Reference
Describes the type of ChEMBL Target Component or Biotherapeutic Component being represented (e.g., 'PROTEIN','DNA','RNA')
relSubsetOf relationship between ChEMBL Protein targets
logP calculated by ACD/Labs PhysChem software
Association between ChEMBL Cell Line and ChEMBL Assay
ChEMBL Activity Data Validity Issue Comment
molecular weight of the corresponding free base
ChEMBL Biotherapeutic Component Association
Association between parent ChEMBL Molecule and ChEMBL Molecule
hydrogen bond acceptor count calculated by pipeline pilot
Association between ChEMBL Entity and Cell Line
rule of three passes calculated by pipeline pilot