Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM411881'   

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))	BDBM411881 (US10392391, Compound I-O-26 | US10787452, Compound...) Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc(CC#N)cnc12 Show InChI InChI=1S/C15H13N7O2/c1-24-11-3-5-18-7-10(11)20-15(23)12-13(17)21-22-8-9(2-4-16)6-19-14(12)22/h3,5-8H,2H2,1H3,(H2,17,21)(H,20,23)	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 US10392391 (2019) BindingDB Entry DOI: 10.7270/Q2CF9SGQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411881 (US10392391, Compound I-O-26 | US10787452, Compound...) Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc(CC#N)cnc12 Show InChI InChI=1S/C15H13N7O2/c1-24-11-3-5-18-7-10(11)20-15(23)12-13(17)21-22-8-9(2-4-16)6-19-14(12)22/h3,5-8H,2H2,1H3,(H2,17,21)(H,20,23)	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 Assays were carried out at 25° C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents...				US Patent US10787452 (2020) BindingDB Entry DOI: 10.7270/Q2M90CRQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411881 (US10392391, Compound I-O-26 | US10787452, Compound...) Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc(CC#N)cnc12 Show InChI InChI=1S/C15H13N7O2/c1-24-11-3-5-18-7-10(11)20-15(23)12-13(17)21-22-8-9(2-4-16)6-19-14(12)22/h3,5-8H,2H2,1H3,(H2,17,21)(H,20,23)	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
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411881 (US10392391, Compound I-O-26 | US10787452, Compound...) Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc(CC#N)cnc12 Show InChI InChI=1S/C15H13N7O2/c1-24-11-3-5-18-7-10(11)20-15(23)12-13(17)21-22-8-9(2-4-16)6-19-14(12)22/h3,5-8H,2H2,1H3,(H2,17,21)(H,20,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 5: Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out i...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM411881 (US10392391, Compound I-O-26 | US10787452, Compound...) Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc(CC#N)cnc12 Show InChI InChI=1S/C15H13N7O2/c1-24-11-3-5-18-7-10(11)20-15(23)12-13(17)21-22-8-9(2-4-16)6-19-14(12)22/h3,5-8H,2H2,1H3,(H2,17,21)(H,20,23)	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem		600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2CN782F
					More data for this Ligand-Target Pair