Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Wee1-like protein kinase' and Ligand = 'BDBM50043635'   

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))	BDBM50043635 (CHEMBL3355520) Show SMILES Clc1ccccc1-n1c2nccn2c2nc(NC3CCCCC3)ncc2c1=O |(33.09,-2.63,;31.76,-3.4,;30.42,-2.64,;29.09,-3.41,;29.09,-4.95,;30.43,-5.72,;31.76,-4.95,;33.1,-5.72,;33.1,-7.27,;31.96,-8.28,;32.58,-9.68,;34.1,-9.53,;34.42,-8.04,;35.75,-7.27,;37.08,-8.05,;38.42,-7.28,;39.75,-8.05,;39.75,-9.6,;38.41,-10.36,;38.4,-11.9,;39.74,-12.67,;41.08,-11.9,;41.08,-10.36,;38.42,-5.73,;37.09,-4.97,;35.76,-5.73,;34.42,-4.95,;34.43,-3.41,)| Show InChI InChI=1S/C20H19ClN6O/c21-15-8-4-5-9-16(15)27-18(28)14-12-23-19(24-13-6-2-1-3-7-13)25-17(14)26-11-10-22-20(26)27/h4-5,8-13H,1-3,6-7H2,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair