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SMILES: COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1

InChI Key: InChIKey=DEOSNYWREMRRNA-SFHVURJKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 117025   

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))	BDBM117025 (US8664236, A5 | US9238651, A5) Show SMILES COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H26N8O3/c1-32-12-16(10-29-32)15-7-20-21(11-28-24(20)27-9-15)22-8-23(31-25(26)30-22)33(13-18(35)14-34)17-3-5-19(36-2)6-4-17/h3-12,18,34-35H,13-14H2,1-2H3,(H,27,28)(H2,26,30,31)/t18-/m0/s1	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	24	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))	BDBM117025 (US8664236, A5 | US9238651, A5) Show SMILES COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H26N8O3/c1-32-12-16(10-29-32)15-7-20-21(11-28-24(20)27-9-15)22-8-23(31-25(26)30-22)33(13-18(35)14-34)17-3-5-19(36-2)6-4-17/h3-12,18,34-35H,13-14H2,1-2H3,(H,27,28)(H2,26,30,31)/t18-/m0/s1	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	6.80E+3	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))	BDBM117025 (US8664236, A5 | US9238651, A5) Show SMILES COc1ccc(cc1)N(C[C@H](O)CO)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C25H26N8O3/c1-32-12-16(10-29-32)15-7-20-21(11-28-24(20)27-9-15)22-8-23(31-25(26)30-22)33(13-18(35)14-34)17-3-5-19(36-2)6-4-17/h3-12,18,34-35H,13-14H2,1-2H3,(H,27,28)(H2,26,30,31)/t18-/m0/s1	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	24	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