Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM420626'   

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))	BDBM420626 (US10479784, Compound IA-130 | US10961232, Compound...) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(F)c1 Show InChI InChI=1S/C23H23FN6O3S/c1-13(2)34(31,32)16-7-5-15(6-8-16)19-12-27-21(25)20(28-19)23-30-29-22(33-23)17-9-4-14(11-26-3)10-18(17)24/h4-10,12-13,26H,11H2,1-3H3,(H2,25,27)	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))	BDBM420626 (US10479784, Compound IA-130 | US10961232, Compound...) Show SMILES CNCc1ccc(-c2nnc(o2)-c2nc(cnc2N)-c2ccc(cc2)S(=O)(=O)C(C)C)c(F)c1 Show InChI InChI=1S/C23H23FN6O3S/c1-13(2)34(31,32)16-7-5-15(6-8-16)19-12-27-21(25)20(28-19)23-30-29-22(33-23)17-9-4-14(11-26-3)10-18(17)24/h4-10,12-13,26H,11H2,1-3H3,(H2,25,27)	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