Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1' and Ligand = 'BDBM117056'   

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))	BDBM117056 (US8664236, A35 | US9238651, A35) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(N)=O)c3ccccc3)c2c1 Show InChI InChI=1S/C24H23N9O/c1-32-14-16(12-29-32)15-9-18-19(13-28-23(18)27-11-15)20-10-22(31-24(26)30-20)33(8-7-21(25)34)17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,34)(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	17	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))	BDBM117056 (US8664236, A35 | US9238651, A35) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(N)=O)c3ccccc3)c2c1 Show InChI InChI=1S/C24H23N9O/c1-32-14-16(12-29-32)15-9-18-19(13-28-23(18)27-11-15)20-10-22(31-24(26)30-20)33(8-7-21(25)34)17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,34)(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	17	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))	BDBM117056 (US8664236, A35 | US9238651, A35) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(N)=O)c3ccccc3)c2c1 Show InChI InChI=1S/C24H23N9O/c1-32-14-16(12-29-32)15-9-18-19(13-28-23(18)27-11-15)20-10-22(31-24(26)30-20)33(8-7-21(25)34)17-5-3-2-4-6-17/h2-6,9-14H,7-8H2,1H3,(H2,25,34)(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	2.30E+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