Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Wee1-like protein kinase' and Ligand = 'BDBM50043636'   

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))	BDBM50043636 (CHEMBL3355521) Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)C3CCCCC3)ncc2c1=O |(45.96,-2.98,;44.63,-3.76,;43.3,-2.99,;41.97,-3.76,;41.97,-5.31,;43.3,-6.08,;44.64,-5.31,;45.97,-6.08,;45.97,-7.62,;44.84,-8.64,;45.45,-10.04,;46.97,-9.88,;47.29,-8.39,;48.62,-7.63,;49.95,-8.4,;51.29,-7.64,;52.62,-8.41,;52.62,-9.95,;51.28,-10.71,;51.28,-12.25,;52.61,-13.03,;53.95,-12.25,;53.95,-10.72,;52.61,-14.56,;51.27,-15.33,;51.27,-16.86,;52.6,-17.64,;53.93,-16.87,;53.94,-15.33,;51.29,-6.09,;49.96,-5.32,;48.63,-6.09,;47.3,-5.31,;47.3,-3.77,)| Show InChI InChI=1S/C26H23ClN6O/c27-21-8-4-5-9-22(21)33-24(34)20-16-29-25(31-23(20)32-15-14-28-26(32)33)30-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h4-5,8-17H,1-3,6-7H2,(H,29,30,31)	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	87	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
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50043636 (CHEMBL3355521) Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)C3CCCCC3)ncc2c1=O |(45.96,-2.98,;44.63,-3.76,;43.3,-2.99,;41.97,-3.76,;41.97,-5.31,;43.3,-6.08,;44.64,-5.31,;45.97,-6.08,;45.97,-7.62,;44.84,-8.64,;45.45,-10.04,;46.97,-9.88,;47.29,-8.39,;48.62,-7.63,;49.95,-8.4,;51.29,-7.64,;52.62,-8.41,;52.62,-9.95,;51.28,-10.71,;51.28,-12.25,;52.61,-13.03,;53.95,-12.25,;53.95,-10.72,;52.61,-14.56,;51.27,-15.33,;51.27,-16.86,;52.6,-17.64,;53.93,-16.87,;53.94,-15.33,;51.29,-6.09,;49.96,-5.32,;48.63,-6.09,;47.3,-5.31,;47.3,-3.77,)| Show InChI InChI=1S/C26H23ClN6O/c27-21-8-4-5-9-22(21)33-24(34)20-16-29-25(31-23(20)32-15-14-28-26(32)33)30-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h4-5,8-17H,1-3,6-7H2,(H,29,30,31)	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	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of human Weel1 in human NCI-H1299 cells assessed as phosphorylation of Cdk1 after overnight incubation by ELISA PD assay				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