Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM117044'   

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
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM117044 (US8664236, A24) Show SMILES COC(=O)CN(c1ccc(Cl)cc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C24H21ClN8O2/c1-32-12-15(10-29-32)14-7-18-19(11-28-23(18)27-9-14)20-8-21(31-24(26)30-20)33(13-22(34)35-2)17-5-3-16(25)4-6-17/h3-12H,13H2,1-2H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.				US Patent US8664236 (2014) BindingDB Entry DOI: 10.7270/Q2RX99RR
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