Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM420778'   

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))	BDBM420778 (4-(5-amino-6-(5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2...) Show SMILES CCOc1ccccc1-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C23H22N6O3/c1-4-31-18-8-6-5-7-16(18)21-27-28-22(32-21)19-20(24)25-13-17(26-19)14-9-11-15(12-10-14)23(30)29(2)3/h5-13H,4H2,1-3H3,(H2,24,25)	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))	BDBM420778 (4-(5-amino-6-(5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2...) Show SMILES CCOc1ccccc1-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C23H22N6O3/c1-4-31-18-8-6-5-7-16(18)21-27-28-22(32-21)19-20(24)25-13-17(26-19)14-9-11-15(12-10-14)23(30)29(2)3/h5-13H,4H2,1-3H3,(H2,24,25)	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