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SMILES: Nc1ncc(nc1-c1nnc(o1)-c1cccs1)-c1ccncc1

InChI Key: InChIKey=NUDLXEBXTYWGJU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 420637   

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))	BDBM420637 (US10479784, Compound IA-141 | US10961232, Compound...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1cccs1)-c1ccncc1 Show InChI InChI=1S/C15H10N6OS/c16-13-12(15-21-20-14(22-15)11-2-1-7-23-11)19-10(8-18-13)9-3-5-17-6-4-9/h1-8H,(H2,16,18)	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))	BDBM420637 (US10479784, Compound IA-141 | US10961232, Compound...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1cccs1)-c1ccncc1 Show InChI InChI=1S/C15H10N6OS/c16-13-12(15-21-20-14(22-15)11-2-1-7-23-11)19-10(8-18-13)9-3-5-17-6-4-9/h1-8H,(H2,16,18)	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