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SMILES: Nc1ncc(nc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(=O)(=O)N1CCCC1

InChI Key: InChIKey=LKNWYCQMMMIJPA-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420465   

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))	BDBM420465 (US10479784, Compound I-134 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C21H20N6O2S/c22-20-19(21-25-16-5-1-2-6-17(16)26-21)24-18(13-23-20)14-7-9-15(10-8-14)30(28,29)27-11-3-4-12-27/h1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,25,26)	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))	BDBM420465 (US10479784, Compound I-134 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nc2ccccc2[nH]1)-c1ccc(cc1)S(=O)(=O)N1CCCC1 Show InChI InChI=1S/C21H20N6O2S/c22-20-19(21-25-16-5-1-2-6-17(16)26-21)24-18(13-23-20)14-7-9-15(10-8-14)30(28,29)27-11-3-4-12-27/h1-2,5-10,13H,3-4,11-12H2,(H2,22,23)(H,25,26)	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