Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein kinase C alpha type' and Ligand = 'BDBM22044'   

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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM22044 ((5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]meth...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(c1)-c1ccc(\C=C2\C(=O)NC(=O)N(CC=C)C2=O)o1 Show InChI InChI=1S/C18H12ClN3O6/c1-2-7-21-17(24)13(16(23)20-18(21)25)9-11-4-6-15(28-11)12-8-10(22(26)27)3-5-14(12)19/h2-6,8-9H,1,7H2,(H,20,23,25)/b13-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a	7.5	22
The Rockefeller University					Assay Description Kinase activity was assayed for autophosphorylation and phosphorylation of MBP with radio-labeled gamma-32P. IC50 values were calculated from binding...				J Med Chem 50: 3980-3 (2007) Article DOI: 10.1021/jm070645a BindingDB Entry DOI: 10.7270/Q2ZW1J6Z
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