Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM50341740'   

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))	BDBM50341740 (3-amino-6-(4-(azetidine-1-carbonyl)phenyl)-N-pheny...) Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCC1 Show InChI InChI=1S/C21H19N5O2/c22-19-18(20(27)24-16-5-2-1-3-6-16)25-17(13-23-19)14-7-9-15(10-8-14)21(28)26-11-4-12-26/h1-3,5-10,13H,4,11-12H2,(H2,22,23)(H,24,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	55	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))	BDBM50341740 (3-amino-6-(4-(azetidine-1-carbonyl)phenyl)-N-pheny...) Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCC1 Show InChI InChI=1S/C21H19N5O2/c22-19-18(20(27)24-16-5-2-1-3-6-16)25-17(13-23-19)14-7-9-15(10-8-14)21(28)26-11-4-12-26/h1-3,5-10,13H,4,11-12H2,(H2,22,23)(H,24,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	55	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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341740 (3-amino-6-(4-(azetidine-1-carbonyl)phenyl)-N-pheny...) Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCC1 Show InChI InChI=1S/C21H19N5O2/c22-19-18(20(27)24-16-5-2-1-3-6-16)25-17(13-23-19)14-7-9-15(10-8-14)21(28)26-11-4-12-26/h1-3,5-10,13H,4,11-12H2,(H2,22,23)(H,24,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341740 (3-amino-6-(4-(azetidine-1-carbonyl)phenyl)-N-pheny...) Show SMILES Nc1ncc(nc1C(=O)Nc1ccccc1)-c1ccc(cc1)C(=O)N1CCC1 Show InChI InChI=1S/C21H19N5O2/c22-19-18(20(27)24-16-5-2-1-3-6-16)25-17(13-23-19)14-7-9-15(10-8-14)21(28)26-11-4-12-26/h1-3,5-10,13H,4,11-12H2,(H2,22,23)(H,24,27)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals (Europe) Ltd. Curated by ChEMBL					Assay Description Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphorylation of H2AX by immunofluorescence microscopy				J Med Chem 54: 2320-30 (2011) Article DOI: 10.1021/jm101488z BindingDB Entry DOI: 10.7270/Q2WS8TK6
					More data for this Ligand-Target Pair