Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM420439'   

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))	BDBM420439 (2-(3-amino-6-(4-(methylsulfonyl)phenyl)pyrazin-2-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2cccc(O)c2[nH]1 Show InChI InChI=1S/C18H15N5O3S/c1-27(25,26)11-7-5-10(6-8-11)13-9-20-17(19)16(21-13)18-22-12-3-2-4-14(24)15(12)23-18/h2-9,24H,1H3,(H2,19,20)(H,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	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 US10961232 (2021) BindingDB Entry DOI: 10.7270/Q2VT1W6G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420439 (2-(3-amino-6-(4-(methylsulfonyl)phenyl)pyrazin-2-y...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nc2cccc(O)c2[nH]1 Show InChI InChI=1S/C18H15N5O3S/c1-27(25,26)11-7-5-10(6-8-11)13-9-20-17(19)16(21-13)18-22-12-3-2-4-14(24)15(12)23-18/h2-9,24H,1H3,(H2,19,20)(H,22,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<10	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 US10479784 (2019) BindingDB Entry DOI: 10.7270/Q2GF0WVD
					More data for this Ligand-Target Pair