Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM420513'   

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))	BDBM420513 (US10479784, Compound IA-26 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C20H18N6O4S/c21-18-17(20-26-25-19(30-20)14-4-2-1-3-5-14)24-16(12-22-18)13-6-8-15(9-7-13)31(28,29)23-10-11-27/h1-9,12,23,27H,10-11H2,(H2,21,22)	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))	BDBM420513 (US10479784, Compound IA-26 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C20H18N6O4S/c21-18-17(20-26-25-19(30-20)14-4-2-1-3-5-14)24-16(12-22-18)13-6-8-15(9-7-13)31(28,29)23-10-11-27/h1-9,12,23,27H,10-11H2,(H2,21,22)	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