Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM420642'   

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))	BDBM420642 (US10479784, Compound IA-146 | US10961232, Compound...) Show SMILES CNCc1cccc(c1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)C(C)C Show InChI InChI=1S/C23H24N6O2S/c1-14(2)32(30)18-9-7-16(8-10-18)19-13-26-21(24)20(27-19)23-29-28-22(31-23)17-6-4-5-15(11-17)12-25-3/h4-11,13-14,25H,12H2,1-3H3,(H2,24,26)	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))	BDBM420642 (US10479784, Compound IA-146 | US10961232, Compound...) Show SMILES CNCc1cccc(c1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)C(C)C Show InChI InChI=1S/C23H24N6O2S/c1-14(2)32(30)18-9-7-16(8-10-18)19-13-26-21(24)20(27-19)23-29-28-22(31-23)17-6-4-5-15(11-17)12-25-3/h4-11,13-14,25H,12H2,1-3H3,(H2,24,26)	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