Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM117026'   

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))	BDBM117026 (US8664236, A6 | US9238651, A6) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccccc3)c2c1 Show InChI InChI=1S/C26H25N7/c1-33-16-18(14-30-33)17-11-20-21(15-29-24(20)28-13-17)22-12-23(32-25(27)31-22)26(9-5-6-10-26)19-7-3-2-4-8-19/h2-4,7-8,11-16H,5-6,9-10H2,1H3,(H,28,29)(H2,27,31,32)	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	130	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
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM117026 (US8664236, A6 | US9238651, A6) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccccc3)c2c1 Show InChI InChI=1S/C26H25N7/c1-33-16-18(14-30-33)17-11-20-21(15-29-24(20)28-13-17)22-12-23(32-25(27)31-22)26(9-5-6-10-26)19-7-3-2-4-8-19/h2-4,7-8,11-16H,5-6,9-10H2,1H3,(H,28,29)(H2,27,31,32)	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	130	n/a	n/a	n/a	n/a	n/a	30
MERCK PATENT GMBH US Patent					Assay Description The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...				US Patent US9238651 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HQZ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM117026 (US8664236, A6 | US9238651, A6) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CCCC3)c3ccccc3)c2c1 Show InChI InChI=1S/C26H25N7/c1-33-16-18(14-30-33)17-11-20-21(15-29-24(20)28-13-17)22-12-23(32-25(27)31-22)26(9-5-6-10-26)19-7-3-2-4-8-19/h2-4,7-8,11-16H,5-6,9-10H2,1H3,(H,28,29)(H2,27,31,32)	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	625	n/a	n/a	n/a	n/a	8.0	4
MERCK PATENT GMBH US Patent					Assay Description The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...				US Patent US9238651 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HQZ
					More data for this Ligand-Target Pair