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SMILES: Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1C(F)(F)F)C(=O)N1CCCNCC1

InChI Key: InChIKey=YXVIPYVNIRPROZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420526   

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))	BDBM420526 (US10479784, Compound IA-39 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1C(F)(F)F)C(=O)N1CCCNCC1 Show InChI InChI=1S/C25H22F3N7O2/c26-25(27,28)18-13-16(24(36)35-11-4-9-30-10-12-35)7-8-17(18)19-14-31-21(29)20(32-19)23-34-33-22(37-23)15-5-2-1-3-6-15/h1-3,5-8,13-14,30H,4,9-12H2,(H2,29,31)	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))	BDBM420526 (US10479784, Compound IA-39 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccc(cc1C(F)(F)F)C(=O)N1CCCNCC1 Show InChI InChI=1S/C25H22F3N7O2/c26-25(27,28)18-13-16(24(36)35-11-4-9-30-10-12-35)7-8-17(18)19-14-31-21(29)20(32-19)23-34-33-22(37-23)15-5-2-1-3-6-15/h1-3,5-8,13-14,30H,4,9-12H2,(H2,29,31)	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