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

InChI Key: InChIKey=GLPVEELVRKQTBL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420782   

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))	BDBM420782 (4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,...) Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C23H23N7O2/c1-25-12-14-4-6-16(7-5-14)21-28-29-22(32-21)19-20(24)26-13-18(27-19)15-8-10-17(11-9-15)23(31)30(2)3/h4-11,13,25H,12H2,1-3H3,(H2,24,26)	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))	BDBM420782 (4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,...) Show SMILES CNCc1ccc(cc1)-c1nnc(o1)-c1nc(cnc1N)-c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C23H23N7O2/c1-25-12-14-4-6-16(7-5-14)21-28-29-22(32-21)19-20(24)26-13-18(27-19)15-8-10-17(11-9-15)23(31)30(2)3/h4-11,13,25H,12H2,1-3H3,(H2,24,26)	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