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SMILES: CS(=O)c1ccccc1-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1

InChI Key: InChIKey=PYXGEZXKHFYERS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420741   

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))	BDBM420741 (US10479784, Compound IA-241 | US10961232, Compound...) Show SMILES CS(=O)c1ccccc1-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C19H15N5O2S/c1-27(25)15-10-6-5-9-13(15)14-11-21-17(20)16(22-14)19-24-23-18(26-19)12-7-3-2-4-8-12/h2-11H,1H3,(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)
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM420741 (US10479784, Compound IA-241 | US10961232, Compound...) Show SMILES CS(=O)c1ccccc1-c1cnc(N)c(n1)-c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C19H15N5O2S/c1-27(25)15-10-6-5-9-13(15)14-11-21-17(20)16(22-14)19-24-23-18(26-19)12-7-3-2-4-8-12/h2-11H,1H3,(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