Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM268087'   

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))	BDBM268087 (4-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-...) Show SMILES CCn1nc(cc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C)C(F)(F)F |r| Show InChI InChI=1S/C27H30F3N7O2/c1-3-36-21(15-22(34-36)27(28,29)30)19-14-23(35-11-13-38-16-17(35)2)33-25-18(19)7-9-31-26(25)20-8-10-32-37(20)24-6-4-5-12-39-24/h7-10,14-15,17,24H,3-6,11-13,16H2,1-2H3/t17-,24?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
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