Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Wee1-like protein kinase 2' and Ligand = 'BDBM31545'   

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 2 (Homo sapiens (Human))	BDBM31545 (Milciclib | pyrazolo[4,3-h]quinazoline-3-carboxami...) Show SMILES CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21 Show InChI InChI=1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center Curated by ChEMBL					Assay Description Binding affinity to recombinant human N-terminal His6-tagged Wee2 kinase domain (202 to 492 residues) expressed in Escherichia coli BL21 (DE3) by iso...				J Med Chem 60: 7863-7875 (2017) Article DOI: 10.1021/acs.jmedchem.7b00996 BindingDB Entry DOI: 10.7270/Q26112G9
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