Compile Data Set for Download or QSAR

Found 555 hits with Last Name = 'wucherer-plietker' and Initial = 'm'   

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))	BDBM117036 (US8664236, A16 | US9238651, A16) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C23H21ClN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60	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))	BDBM117036 (US8664236, A16 | US9238651, A16) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C23H21ClN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.70	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))	BDBM117036 (US8664236, A16 | US9238651, A16) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C23H21ClN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.70	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))	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	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
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	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))	BDBM117046 (US8664236, A26 | US9238651, A26) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3F)c2c1 Show InChI InChI=1S/C23H21FN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM117047 (US8664236, A27 | US9238651, A27) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCOc4ccccc34)c2c1 Show InChI InChI=1S/C23H20N8O/c1-30-13-15(11-27-30)14-8-16-17(12-26-22(16)25-10-14)18-9-21(29-23(24)28-18)31-6-7-32-20-5-3-2-4-19(20)31/h2-5,8-13H,6-7H2,1H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM117047 (US8664236, A27 | US9238651, A27) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N3CCOc4ccccc34)c2c1 Show InChI InChI=1S/C23H20N8O/c1-30-13-15(11-27-30)14-8-16-17(12-26-22(16)25-10-14)18-9-21(29-23(24)28-18)31-6-7-32-20-5-3-2-4-19(20)31/h2-5,8-13H,6-7H2,1H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM117046 (US8664236, A26 | US9238651, A26) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3F)c2c1 Show InChI InChI=1S/C23H21FN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM117045 (US8664236, A25 | US9238651, A25) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccc(F)cc3F)c2c1 Show InChI InChI=1S/C23H20F2N8O/c1-32-12-14(10-29-32)13-6-16-17(11-28-22(16)27-9-13)19-8-21(31-23(26)30-19)33(4-5-34)20-3-2-15(24)7-18(20)25/h2-3,6-12,34H,4-5H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	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))	BDBM117045 (US8664236, A25 | US9238651, A25) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccc(F)cc3F)c2c1 Show InChI InChI=1S/C23H20F2N8O/c1-32-12-14(10-29-32)13-6-16-17(11-28-22(16)27-9-13)19-8-21(31-23(26)30-19)33(4-5-34)20-3-2-15(24)7-18(20)25/h2-3,6-12,34H,4-5H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	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))	BDBM117049 (US8664236, A29 | US9238651, A29) Show SMILES COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl Show InChI InChI=1S/C24H23ClN8O/c1-32-14-16(12-29-32)15-9-17-18(13-28-23(17)27-11-15)20-10-22(31-24(26)30-20)33(7-8-34-2)21-6-4-3-5-19(21)25/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	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))	BDBM117049 (US8664236, A29 | US9238651, A29) Show SMILES COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl Show InChI InChI=1S/C24H23ClN8O/c1-32-14-16(12-29-32)15-9-17-18(13-28-23(17)27-11-15)20-10-22(31-24(26)30-20)33(7-8-34-2)21-6-4-3-5-19(21)25/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	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))	BDBM117050 (US8664236, A30 | US9238651, A30) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1 Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.10	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))	BDBM117030 (US8664236, A10 | US9238651, A10) Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl Show InChI InChI=1S/C22H19ClN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.60	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))	BDBM117030 (US8664236, A10 | US9238651, A10) Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl Show InChI InChI=1S/C22H19ClN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.60	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))	BDBM117050 (US8664236, A30 | US9238651, A30) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1 Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.90	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))	BDBM117050 (US8664236, A30 | US9238651, A30) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1 Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.90	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
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM117052 (US8664236, A31 | US9238651, A31) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCCN)c3ccccc3)c2c1 Show InChI InChI=1S/C24H25N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,8-9,25H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.70	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))	BDBM117052 (US8664236, A31 | US9238651, A31) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCCN)c3ccccc3)c2c1 Show InChI InChI=1S/C24H25N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,8-9,25H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.70	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))	BDBM117029 (US8664236, A9 | US9238651, A9) Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.70	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))	BDBM117029 (US8664236, A9 | US9238651, A9) Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.70	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))	BDBM117041 (US8664236, A21 | US9238651, A21) Show SMILES COCC(O)CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C25H26N8O2/c1-32-13-17(11-29-32)16-8-20-21(12-28-24(20)27-10-16)22-9-23(31-25(26)30-22)33(14-19(34)15-35-2)18-6-4-3-5-7-18/h3-13,19,34H,14-15H2,1-2H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	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))	BDBM117041 (US8664236, A21 | US9238651, A21) Show SMILES COCC(O)CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C25H26N8O2/c1-32-13-17(11-29-32)16-8-20-21(12-28-24(20)27-10-16)22-9-23(31-25(26)30-22)33(14-19(34)15-35-2)18-6-4-3-5-7-18/h3-13,19,34H,14-15H2,1-2H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	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))	BDBM117032 (US8664236, A12 | US9238651, A12) Show SMILES CCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C23H22N8/c1-3-31(17-7-5-4-6-8-17)21-10-20(28-23(24)29-21)19-13-26-22-18(19)9-15(11-25-22)16-12-27-30(2)14-16/h4-14H,3H2,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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))	BDBM117032 (US8664236, A12 | US9238651, A12) Show SMILES CCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C23H22N8/c1-3-31(17-7-5-4-6-8-17)21-10-20(28-23(24)29-21)19-13-26-22-18(19)9-15(11-25-22)16-12-27-30(2)14-16/h4-14H,3H2,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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))	BDBM117024 (US8664236, A4 | US9238651, A4) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3)c2c1 Show InChI InChI=1S/C23H22N8O/c1-30-14-16(12-27-30)15-9-18-19(13-26-22(18)25-11-15)20-10-21(29-23(24)28-20)31(7-8-32)17-5-3-2-4-6-17/h2-6,9-14,32H,7-8H2,1H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	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))	BDBM50178285 (CHEMBL3813865) Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C16H15N7/c1-2-11-4-14(23-16(17)22-11)13-8-19-15-12(13)3-9(5-18-15)10-6-20-21-7-10/h3-8H,2H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method				Bioorg Med Chem Lett 26: 3073-80 (2016) Article DOI: 10.1016/j.bmcl.2016.05.005 BindingDB Entry DOI: 10.7270/Q2M61N5R
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM117024 (US8664236, A4 | US9238651, A4) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3)c2c1 Show InChI InChI=1S/C23H22N8O/c1-30-14-16(12-27-30)15-9-18-19(13-26-22(18)25-11-15)20-10-21(29-23(24)28-20)31(7-8-32)17-5-3-2-4-6-17/h2-6,9-14,32H,7-8H2,1H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM205195 (US9249114, A21) Show SMILES COc1cnccc1-c1nc(C(N)=O)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1 Show InChI InChI=1S/C23H26N6O3S/c1-28-9-11-29(12-10-28)14-15-3-5-16(6-4-15)21(31)27-23-19(20(24)30)26-22(33-23)17-7-8-25-13-18(17)32-2/h3-8,13H,9-12,14H2,1-2H3,(H2,24,30)(H,27,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	30
Merck Patent GmbH US Patent					Assay Description The kinase assay is performed either as 384-well Flashplate assay (for e.g. Topcount measurement). 1 nM IKKε, 800 nM biotinylated IκB&a...				US Patent US9249114 (2016) BindingDB Entry DOI: 10.7270/Q2N58K60
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM117031 (US8664236, A11 | US9238651, A11) Show SMILES CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H20N8/c1-29-13-15(11-26-29)14-8-17-18(12-25-21(17)24-10-14)19-9-20(28-22(23)27-19)30(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25)(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.5	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))	BDBM117031 (US8664236, A11 | US9238651, A11) Show SMILES CN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H20N8/c1-29-13-15(11-26-29)14-8-17-18(12-25-21(17)24-10-14)19-9-20(28-22(23)27-19)30(2)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,25)(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16.5	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))	BDBM117035 (US8664236, A15 | US9238651, A15) Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C25H25ClN8O/c1-15(2)34-14-17(12-30-34)16-9-18-19(13-29-24(18)28-11-16)21-10-23(32-25(27)31-21)33(7-8-35)22-6-4-3-5-20(22)26/h3-6,9-15,35H,7-8H2,1-2H3,(H,28,29)(H2,27,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	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))	BDBM117035 (US8664236, A15 | US9238651, A15) Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C25H25ClN8O/c1-15(2)34-14-17(12-30-34)16-9-18-19(13-29-24(18)28-11-16)21-10-23(32-25(27)31-21)33(7-8-35)22-6-4-3-5-20(22)26/h3-6,9-15,35H,7-8H2,1-2H3,(H,28,29)(H2,27,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	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	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	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))	BDBM117063 (US8664236, A42 | US9238651, A42) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)C3(CC3)c3ccccc3F)c2c1 Show InChI InChI=1S/C24H20FN7/c1-32-13-15(11-29-32)14-8-16-17(12-28-22(16)27-10-14)20-9-21(31-23(26)30-20)24(6-7-24)18-4-2-3-5-19(18)25/h2-5,8-13H,6-7H2,1H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	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))	BDBM117064 (US8664236, A43 | US9238651, A43) Show SMILES CC(=O)NCCCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N9O/c1-17(36)28-9-6-10-35(20-7-4-3-5-8-20)24-12-23(32-26(27)33-24)22-15-30-25-21(22)11-18(13-29-25)19-14-31-34(2)16-19/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H,28,36)(H,29,30)(H2,27,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	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))	BDBM117064 (US8664236, A43 | US9238651, A43) Show SMILES CC(=O)NCCCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C26H27N9O/c1-17(36)28-9-6-10-35(20-7-4-3-5-8-20)24-12-23(32-26(27)33-24)22-15-30-25-21(22)11-18(13-29-25)19-14-31-34(2)16-19/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H,28,36)(H,29,30)(H2,27,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	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))	BDBM117046 (US8664236, A26 | US9238651, A26) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3F)c2c1 Show InChI InChI=1S/C23H21FN8O/c1-31-13-15(11-28-31)14-8-16-17(12-27-22(16)26-10-14)19-9-21(30-23(25)29-19)32(6-7-33)20-5-3-2-4-18(20)24/h2-5,8-13,33H,6-7H2,1H3,(H,26,27)(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	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 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	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 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	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
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM117049 (US8664236, A29 | US9238651, A29) Show SMILES COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl Show InChI InChI=1S/C24H23ClN8O/c1-32-14-16(12-29-32)15-9-17-18(13-28-23(17)27-11-15)20-10-22(31-24(26)30-20)33(7-8-34-2)21-6-4-3-5-19(21)25/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.5	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))	BDBM117030 (US8664236, A10 | US9238651, A10) Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl Show InChI InChI=1S/C22H19ClN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	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))	BDBM117029 (US8664236, A9 | US9238651, A9) Show SMILES CN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1F Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-7-15-16(11-26-21(15)25-9-13)18-8-20(29-22(24)28-18)31(2)19-6-4-3-5-17(19)23/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	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))	BDBM117039 (US8664236, A19 | US9238651, A19) Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(C)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C24H23ClN8/c1-14(2)33-13-16(11-29-33)15-8-17-18(12-28-23(17)27-10-15)20-9-22(31-24(26)30-20)32(3)21-7-5-4-6-19(21)25/h4-14H,1-3H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	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))	BDBM117039 (US8664236, A19 | US9238651, A19) Show SMILES CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(C)c3ccccc3Cl)c2c1 Show InChI InChI=1S/C24H23ClN8/c1-14(2)33-13-16(11-29-33)15-8-17-18(12-28-23(17)27-10-15)20-9-22(31-24(26)30-20)32(3)21-7-5-4-6-19(21)25/h4-14H,1-3H3,(H,27,28)(H2,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM205200 (US9249114, A26) Show SMILES CN1CCC(Cc2ccc(cc2)C(=O)Nc2sc(nc2C(N)=O)-c2ccncc2)CC1 Show InChI InChI=1S/C23H25N5O2S/c1-28-12-8-16(9-13-28)14-15-2-4-17(5-3-15)21(30)27-23-19(20(24)29)26-22(31-23)18-6-10-25-11-7-18/h2-7,10-11,16H,8-9,12-14H2,1H3,(H2,24,29)(H,27,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	7.5	30
Merck Patent GmbH US Patent					Assay Description The kinase assay is performed either as 384-well Flashplate assay (for e.g. Topcount measurement). 1 nM IKKε, 800 nM biotinylated IκB&a...				US Patent US9249114 (2016) BindingDB Entry DOI: 10.7270/Q2N58K60
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM117021 (US8664236, A1 | US9238651, A1) Show SMILES CN(c1cccc(F)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-6-17-18(11-26-21(17)25-9-13)19-8-20(29-22(24)28-19)31(2)16-5-3-4-15(23)7-16/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	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))	BDBM117021 (US8664236, A1 | US9238651, A1) Show SMILES CN(c1cccc(F)c1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H19FN8/c1-30-12-14(10-27-30)13-6-17-18(11-26-21(17)25-9-13)19-8-20(29-22(24)28-19)31(2)16-5-3-4-15(23)7-16/h3-12H,1-2H3,(H,25,26)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	34	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

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