Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PLK1' and Ligand = 'BDBM50206454'   

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 PLK1 (Homo sapiens (Human))	BDBM50206454 (CHEMBL3928373) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C31H49N8O13P/c1-16(2)11-20(35-28(44)23-7-5-9-38(23)18(4)41)26(42)34-21(12-19-13-32-15-33-19)27(43)36-22(14-40)30(46)39-10-6-8-24(39)29(45)37-25(31(47)48)17(3)52-53(49,50)51/h13,15-17,20-25,40H,5-12,14H2,1-4H3,(H,32,33)(H,34,42)(H,35,44)(H,36,43)(H,37,45)(H,47,48)(H2,49,50,51)/t17-,20+,21+,22+,23+,24+,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Binding affinity to NT-647 labeled PLK1 polo-box domain (unknown origin) expressed in Escherichia coli Rosetta (DE3) by microscale thermophoresis bas...				Eur J Med Chem 124: 229-236 (2016) Article DOI: 10.1016/j.ejmech.2016.08.043 BindingDB Entry DOI: 10.7270/Q22F7QFW
					More data for this Ligand-Target Pair