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SMILES: CC(C)(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1

InChI Key: InChIKey=GJHUIKVVVGFDND-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420781   

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))	BDBM420781 (US10479784, Compound IA-280 | US10961232, Compound...) Show SMILES CC(C)(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O3S/c1-22(2,3)31(28,29)16-11-9-14(10-12-16)17-13-24-19(23)18(25-17)21-27-26-20(30-21)15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,23,24)	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))	BDBM420781 (US10479784, Compound IA-280 | US10961232, Compound...) Show SMILES CC(C)(C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C22H21N5O3S/c1-22(2,3)31(28,29)16-11-9-14(10-12-16)17-13-24-19(23)18(25-17)21-27-26-20(30-21)15-7-5-4-6-8-15/h4-13H,1-3H3,(H2,23,24)	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