Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM323391'   

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))	BDBM323391 (US9630956, Compound I-128) Show SMILES CCC(CC)n1cc(ccc1=O)-c1cnc(N)c(n1)-c1cc(no1)-c1ccc(CNC2CC2)cc1F Show InChI InChI=1S/C27H29FN6O2/c1-3-19(4-2)34-15-17(6-10-25(34)35)23-14-31-27(29)26(32-23)24-12-22(33-36-24)20-9-5-16(11-21(20)28)13-30-18-7-8-18/h5-6,9-12,14-15,18-19,30H,3-4,7-8,13H2,1-2H3,(H2,29,31)	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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