Supporting data for the article "Fragment-based approaches to the development of Mycobacterium tuberculosis CYP121 inhibitors", published in the Journal of Medicinal Chemistry, 2016. LCMS, HRMS, IR and NMR spectra from the characterisation of compounds reported in the Experimental Methods section of the article are provided as PDFs. Isothermal titration calorimetry enthalpy plots and data fitting for compounds reported in Table 2 of the article are provided as PDFs. Data for human cytochrome P450 inhibition studies with compounds 19a, 25a and 26a provided as a PDF.This research data supports “Fragment-based approaches to the development of Mycobacterium tuberculosis CYP121 inhibitors” which will be published in “Journal of Medicinal Chemistry”.This work was supported by the BBSRC [grant number BB/I019669/1 and BB/I019227/1], Wellcome Trust, Cancer Research UK and the UK Medical Research Council (to LPSC - MC_UP_A253_1111) FAPESP, CNPq and CAPES-PDSE (to LBM - 2011/21232-1, 140079/2013-0, 99999.003125/2014-09), SAH was supported by an Oliphant Cambridge Australia Scholarship (App No: 10132070), MEK was supported by a Commonwealth (University of Cambridge) Scholarship awarded in conjunction with the Cambridge Commonwealth Trust and Cambridge Overseas Trust. GGJ received funding from the Ogden Trust and the Isaac Newton Trust administered through the University of Cambridge Bursary Scheme. DSCH was supported by a Croucher Cambridge International Scholarship awarded in conjunction between the Croucher Foundation and the Cambridge Overseas Trust., São Paulo Research Foundation (FAPESP), National Council for Scientific and Technological Development (CNPq), Coordenadoria de Aperfeiçoamento de Pessoal de Nível Superior (CAPES-PDSE) and Various personal funding administered by the University of Cambridge