Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM420547'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM420547 (US10479784, Compound IA-60 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C17H12N6O/c18-15-14(21-13(10-20-15)11-6-8-19-9-7-11)17-23-22-16(24-17)12-4-2-1-3-5-12/h1-10H,(H2,18,20)	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))	BDBM420547 (US10479784, Compound IA-60 | US10961232, Compound ...) Show SMILES Nc1ncc(nc1-c1nnc(o1)-c1ccccc1)-c1ccncc1 Show InChI InChI=1S/C17H12N6O/c18-15-14(21-13(10-20-15)11-6-8-19-9-7-11)17-23-22-16(24-17)12-4-2-1-3-5-12/h1-10H,(H2,18,20)	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