Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PLK1' and Ligand = 'BDBM50433415'   

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))	BDBM50433415 (CHEMBL2380764) Show SMILES CC(C)C[C@@H]1NC(=O)CN(CCCCCC(=O)NCCc2cn(C(C)=O)c3ccccc23)C(=O)CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2cncn2CCCCCCCCc2ccccc2)NC1=O)[C@@H](C)OP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C58H84N11O14PS/c1-38(2)29-45-55(76)63-46(30-43-31-60-37-68(43)28-17-8-6-5-7-11-19-41-20-12-9-13-21-41)56(77)64-47(34-70)57(78)66-53(39(3)83-84(80,81)82)58(79)65-48(54(59)75)35-85-36-52(74)67(33-51(73)62-45)27-18-10-14-24-50(72)61-26-25-42-32-69(40(4)71)49-23-16-15-22-44(42)49/h9,12-13,15-16,20-23,31-32,37-39,45-48,53,70H,5-8,10-11,14,17-19,24-30,33-36H2,1-4H3,(H2,59,75)(H,61,72)(H,62,73)(H,63,76)(H,64,77)(H,65,79)(H,66,78)(H2,80,81,82)/t39-,45+,46+,47+,48-,53+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Basic Science Institute Curated by ChEMBL					Assay Description Inhibition of HA-EGFP tagged Plk1 polo-box domain (unknown origin) expressed in 293A cells assessed as inhibition of biotin-p-T78 binding after 1 hr ...				Bioorg Med Chem 21: 2623-34 (2013) Article DOI: 10.1016/j.bmc.2013.02.020 BindingDB Entry DOI: 10.7270/Q2J38TZ4
					More data for this Ligand-Target Pair