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SMILES: Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CC(O)CO)c3cccc(c3)C#N)c2c1

InChI Key: InChIKey=VODCQGKUXBDFPS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 117042   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM117042 (US8664236, A22 | US9238651, A22) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CC(O)CO)c3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C25H23N9O2/c1-33-12-17(10-30-33)16-6-20-21(11-29-24(20)28-9-16)22-7-23(32-25(27)31-22)34(13-19(36)14-35)18-4-2-3-15(5-18)8-26/h2-7,9-12,19,35-36H,13-14H2,1H3,(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	90	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))	BDBM117042 (US8664236, A22 | US9238651, A22) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CC(O)CO)c3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C25H23N9O2/c1-33-12-17(10-30-33)16-6-20-21(11-29-24(20)28-9-16)22-7-23(32-25(27)31-22)34(13-19(36)14-35)18-4-2-3-15(5-18)8-26/h2-7,9-12,19,35-36H,13-14H2,1H3,(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	>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
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM117042 (US8664236, A22 | US9238651, A22) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CC(O)CO)c3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C25H23N9O2/c1-33-12-17(10-30-33)16-6-20-21(11-29-24(20)28-9-16)22-7-23(32-25(27)31-22)34(13-19(36)14-35)18-4-2-3-15(5-18)8-26/h2-7,9-12,19,35-36H,13-14H2,1H3,(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	90	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