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SMILES: CNCc1ccc(s1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C

InChI Key: InChIKey=YJWWKFMLAKLFKB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420636   

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))	BDBM420636 (US10479784, Compound IA-140 | US10961232, Compound...) Show SMILES CNCc1ccc(s1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C21H22N6O3S2/c1-12(2)32(28,29)15-7-4-13(5-8-15)16-11-24-19(22)18(25-16)21-27-26-20(30-21)17-9-6-14(31-17)10-23-3/h4-9,11-12,23H,10H2,1-3H3,(H2,22,24)	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))	BDBM420636 (US10479784, Compound IA-140 | US10961232, Compound...) Show SMILES CNCc1ccc(s1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C Show InChI InChI=1S/C21H22N6O3S2/c1-12(2)32(28,29)15-7-4-13(5-8-15)16-11-24-19(22)18(25-16)21-27-26-20(30-21)17-9-6-14(31-17)10-23-3/h4-9,11-12,23H,10H2,1-3H3,(H2,22,24)	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