ChEMBL Resources

Resources:
ChEMBL
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SureChEMBL
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ChEMBL-NTD
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ChEMBL-Malaria
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The SARfaris: GPCR, Kinase, ADME
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UniChem
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DrugEBIlity
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ECBD

Thursday, 4 April 2013

New kinase inhibition full matrix dataset


We've just processed and integrated a new full matrix kinase inhibition dataset, kindly provided by EMD Millipore. As described in this recent paper, it covers 234 human wildtype kinases and kinase complexes, as well as 158 'standard' kinase inhibitors tested at two concentrations, leading to more than 73,000 data points. Analysis of the data could provide new insights to kinase selectivity/promiscuity/polypharmacology (depends on how you look at it) and their relationship with chemical structure. The dataset will be available with ChEMBL_16 next month. 

PS: The image above shows the activity profile of four kinase inhibitors across the human kinome families from the Millipore data. It was produced with circos by Rita. 

George

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