Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM420539'   

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))	BDBM420539 (US10479784, Compound IA-52 | US10961232, Compound ...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccs1 Show InChI InChI=1S/C19H16N6O2S/c1-25(2)19(26)12-7-5-11(6-8-12)13-10-21-16(20)15(22-13)18-24-23-17(27-18)14-4-3-9-28-14/h3-10H,1-2H3,(H2,20,21)	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))	BDBM420539 (US10479784, Compound IA-52 | US10961232, Compound ...) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1cccs1 Show InChI InChI=1S/C19H16N6O2S/c1-25(2)19(26)12-7-5-11(6-8-12)13-10-21-16(20)15(22-13)18-24-23-17(27-18)14-4-3-9-28-14/h3-10H,1-2H3,(H2,20,21)	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