Data from an NIH HTS of 17K compounds against five isozymes of cytochrome P450 screening for inhibition. The activity score is taken from the NIH assay and merged with all the 2-D descriptors from the
Thirteen new dammarane-type triterpenoids (1–13) and four known analogues, gentirigenic acid (14) and the gentirigeosides A, B, and E (15–17), were isolated from Gentianella azurea. Their structures w
This dataset contains QSAR data (from ChEMBL version 17) showing activity values (unit is pseudo-pCI50) of several compounds on drug target ChEMBL_ID: CHEMBL3904 (TID: 11837), and it has 10 rows and 4
