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SMILES: Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(O)=O)c3ccccc3Cl)c2c1

InChI Key: InChIKey=ZQSBQAMOFDFBKE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 117043   

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))	BDBM117043 (US8664236, A23 | US9238651, A23) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(O)=O)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C24H21ClN8O2/c1-32-13-15(11-29-32)14-8-16-17(12-28-23(16)27-10-14)19-9-21(31-24(26)30-19)33(7-6-22(34)35)20-5-3-2-4-18(20)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H,34,35)(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	4.80	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))	BDBM117043 (US8664236, A23 | US9238651, A23) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(O)=O)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C24H21ClN8O2/c1-32-13-15(11-29-32)14-8-16-17(12-28-23(16)27-10-14)19-9-21(31-24(26)30-19)33(7-6-22(34)35)20-5-3-2-4-18(20)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H,34,35)(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	>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))	BDBM117043 (US8664236, A23 | US9238651, A23) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC(O)=O)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C24H21ClN8O2/c1-32-13-15(11-29-32)14-8-16-17(12-28-23(16)27-10-14)19-9-21(31-24(26)30-19)33(7-6-22(34)35)20-5-3-2-4-18(20)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H,34,35)(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	4.80	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