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SMILES: CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN)s1

InChI Key: InChIKey=JVHDMLIYBUXCLI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420669   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM420669 (US10479784, Compound IA-173 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN)s1 Show InChI InChI=1S/C20H20N6O3S2/c1-11(2)31(27,28)14-6-3-12(4-7-14)15-10-23-18(22)17(24-15)20-26-25-19(29-20)16-8-5-13(9-21)30-16/h3-8,10-11H,9,21H2,1-2H3,(H2,22,23)	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))	BDBM420669 (US10479784, Compound IA-173 | US10961232, Compound...) Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccc(CN)s1 Show InChI InChI=1S/C20H20N6O3S2/c1-11(2)31(27,28)14-6-3-12(4-7-14)15-10-23-18(22)17(24-15)20-26-25-19(29-20)16-8-5-13(9-21)30-16/h3-8,10-11H,9,21H2,1-2H3,(H2,22,23)	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