Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM117040'   

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))	BDBM117040 (US8664236, A20 | US9238651, A20) Show SMILES CCN(c1nncs1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C19H18N10S/c1-3-29(19-27-23-10-30-19)16-5-15(25-18(20)26-16)14-8-22-17-13(14)4-11(6-21-17)12-7-24-28(2)9-12/h4-10H,3H2,1-2H3,(H,21,22)(H2,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	155	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))	BDBM117040 (US8664236, A20 | US9238651, A20) Show SMILES CCN(c1nncs1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C19H18N10S/c1-3-29(19-27-23-10-30-19)16-5-15(25-18(20)26-16)14-8-22-17-13(14)4-11(6-21-17)12-7-24-28(2)9-12/h4-10H,3H2,1-2H3,(H,21,22)(H2,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	155	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))	BDBM117040 (US8664236, A20 | US9238651, A20) Show SMILES CCN(c1nncs1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C19H18N10S/c1-3-29(19-27-23-10-30-19)16-5-15(25-18(20)26-16)14-8-22-17-13(14)4-11(6-21-17)12-7-24-28(2)9-12/h4-10H,3H2,1-2H3,(H,21,22)(H2,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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