Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR' and Ligand = 'BDBM412025'   

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
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412025 (US10392391, Compound I-C-79 | US10787452, Compound...) Show SMILES Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 |(5.25,-.62,;3.77,-1.02,;3.29,-2.49,;1.75,-2.49,;1.27,-1.02,;2.52,-.12,;2.52,1.42,;3.85,2.19,;5.19,1.42,;3.85,3.73,;2.52,4.5,;1.19,3.73,;1.19,2.19,;-.15,1.42,;-1.48,2.19,;-1.48,3.73,;-2.82,1.42,;-4.22,2.05,;-4.54,3.56,;-5.25,.9,;-4.48,-.43,;-4.96,-1.89,;-3.93,-3.04,;-4.4,-4.5,;-2.42,-2.72,;-1.95,-1.25,;-2.98,-.11,)| Show InChI InChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Assays were carried out at 25° C. in the presence of 4 nM full-length ATR, 40 nM full-length ATRIP, 40 nM full-length CLK2 and 600 nM TopBP1(A891-S11...				Citation and Details BindingDB Entry DOI: 10.7270/Q2639SW3
					More data for this Ligand-Target Pair
ATR-interacting protein/DNA topoisomerase 2-binding protein 1/Dual specificity protein kinase CLK2/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM412025 (US10392391, Compound I-C-79 | US10787452, Compound...) Show SMILES Cn1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12 |(5.25,-.62,;3.77,-1.02,;3.29,-2.49,;1.75,-2.49,;1.27,-1.02,;2.52,-.12,;2.52,1.42,;3.85,2.19,;5.19,1.42,;3.85,3.73,;2.52,4.5,;1.19,3.73,;1.19,2.19,;-.15,1.42,;-1.48,2.19,;-1.48,3.73,;-2.82,1.42,;-4.22,2.05,;-4.54,3.56,;-5.25,.9,;-4.48,-.43,;-4.96,-1.89,;-3.93,-3.04,;-4.4,-4.5,;-2.42,-2.72,;-1.95,-1.25,;-2.98,-.11,)| Show InChI InChI=1S/C16H12F2N8O/c1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h2-7H,1H3,(H2,19,24)(H,23,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE UniChem	US Patent	<200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 7: Compounds were screened for their ability to inhibit ATR kinase, in the presence of partner proteins ATRIP, CLK2 and TopBP1, using a radioac...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MP56GR
					More data for this Ligand-Target Pair