Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Wee1-like protein kinase' and Ligand = 'BDBM462373'   

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
Wee1-like protein kinase (Homo sapiens (Human))	BDBM462373 (US10766902, Example 86) Show SMILES COc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCNC(C1)C(F)(F)F |w:37.43| Show InChI InChI=1S/C27H30F3N9O3S/c1-5-12-38-25(40)18-15-32-26(35-24(18)39(38)23-8-6-7-22(34-23)36-43(3,4)41)33-17-9-10-19(20(14-17)42-2)37-13-11-31-21(16-37)27(28,29)30/h5-10,14-15,21,31H,1,11-13,16H2,2-4H3,(H,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
ALMAC DISCOVERY LIMITED US Patent					Assay Description All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...				US Patent US10766902 (2020) BindingDB Entry DOI: 10.7270/Q2KD21ZR
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