Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM323281'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM323281 (US9630956, Compound I-18) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(=O)n(c2)C(C)C2CC2)c(C)c1 Show InChI InChI=1S/C25H27N7O2/c1-14-10-16(11-27-3)4-8-19(14)24-30-31-25(34-24)22-23(26)28-12-20(29-22)18-7-9-21(33)32(13-18)15(2)17-5-6-17/h4,7-10,12-13,15,17,27H,5-6,11H2,1-3H3,(H2,26,28)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Incorporated US Patent					Assay Description Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...				US Patent US9630956 (2017) BindingDB Entry DOI: 10.7270/Q2X63Q2S
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