Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase PLK1' and Ligand = 'BDBM86345'   

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))	BDBM86345 (Phosphodiester analog, 6 | Phosphodiester analog, ...) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C57H97N8O18P/c1-43(2)37-47(61-57(72)50-18-14-21-65(50)51(67)19-22-77-25-26-79-29-30-81-33-34-83-36-35-82-32-31-80-28-27-78-24-23-76-4)54(69)60-48(55(70)62-49(40-66)56(71)63-52(53(58)68)44(3)41-84(73,74)75)38-46-39-59-42-64(46)20-13-8-6-5-7-10-15-45-16-11-9-12-17-45/h9,11-12,16-17,39,42-44,47-50,52,66H,5-8,10,13-15,18-38,40-41H2,1-4H3,(H2,58,68)(H,60,69)(H,61,72)(H,62,70)(H,63,71)(H2,73,74,75)/t44-,47-,48-,49-,50?,52-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	8.0	25
National Cancer Institute-Frederick					Assay Description The evaluation of Plk1 PBD binding affinities of the synthetic compounds using an ELISA-based 96-well assay.				Nat Chem Biol 7: 595-601 (2011) Article DOI: 10.1038/nchembio.614 BindingDB Entry DOI: 10.7270/Q2CN72GB
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM86345 (Phosphodiester analog, 6 | Phosphodiester analog, ...) Show SMILES COCCOCCOCCOCCOCCOCCOCCOCCC(=O)N1CCCC1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CP(O)(O)=O)C(N)=O |r| Show InChI InChI=1S/C57H97N8O18P/c1-43(2)37-47(61-57(72)50-18-14-21-65(50)51(67)19-22-77-25-26-79-29-30-81-33-34-83-36-35-82-32-31-80-28-27-78-24-23-76-4)54(69)60-48(55(70)62-49(40-66)56(71)63-52(53(58)68)44(3)41-84(73,74)75)38-46-39-59-42-64(46)20-13-8-6-5-7-10-15-45-16-11-9-12-17-45/h9,11-12,16-17,39,42-44,47-50,52,66H,5-8,10,13-15,18-38,40-41H2,1-4H3,(H2,58,68)(H,60,69)(H,61,72)(H,62,70)(H,63,71)(H2,73,74,75)/t44-,47-,48-,49-,50?,52-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	8.0	25
National Cancer Institute-Frederick					Assay Description The evaluation of Plk1 PBD binding affinities of the synthetic compounds using an ELISA-based 96-well assay.				Nat Chem Biol 7: 595-601 (2011) Article DOI: 10.1038/nchembio.614 BindingDB Entry DOI: 10.7270/Q2CN72GB
					More data for this Ligand-Target Pair