Compile Data Set for Download or QSAR

Found 28 hits of ec50 data for polymerid = 1744   

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))	BDBM26198 (4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....) Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.				J Biol Chem 286: 6433-48 (2011) Article DOI: 10.1074/jbc.M110.156463 BindingDB Entry DOI: 10.7270/Q21C1VGQ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50361645 (CHEMBL1234429 | US9873693, Compound 144) Show SMILES Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F |r| Show InChI InChI=1S/C28H22F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)(H2,32,33,37)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM92406 (PDK1 inhibitor, 7) Show SMILES Fc1ccc(Cn2cccc(C(=O)NC(COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F Show InChI InChI=1S/C28H20F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.				J Biol Chem 286: 6433-48 (2011) Article DOI: 10.1074/jbc.M110.156463 BindingDB Entry DOI: 10.7270/Q21C1VGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM92402 (PDK1 inhibitor, 2) Show SMILES CC(Nc1nc2c(c[nH]c(=O)c2c2cc(ccc12)-c1cn[nH]c1)C#CC1CC1)C(C)(C)C Show InChI InChI=1S/C26H27N5O/c1-15(26(2,3)4)30-24-20-10-9-17(19-13-28-29-14-19)11-21(20)22-23(31-24)18(12-27-25(22)32)8-7-16-5-6-16/h9-16H,5-6H2,1-4H3,(H,27,32)(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.				J Biol Chem 286: 6433-48 (2011) Article DOI: 10.1074/jbc.M110.156463 BindingDB Entry DOI: 10.7270/Q21C1VGQ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM92404 (CHEMBL250843 | PDK1 inhibitor, 5) Show SMILES Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21 Show InChI InChI=1S/C14H15ClN4O/c1-8-12-13(18-17-8)10-7-9(15)3-4-11(10)19(14(12)20)6-2-5-16/h3-4,7H,2,5-6,16H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.				J Biol Chem 286: 6433-48 (2011) Article DOI: 10.1074/jbc.M110.156463 BindingDB Entry DOI: 10.7270/Q21C1VGQ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM92405 (PDK1 inhibitor, 6) Show SMILES Cc1[nH]nc(-c2nc3cc4c[nH][nH]c4cc3n2)c1C(=O)NC1CCNCC1 Show InChI InChI=1S/C18H20N8O/c1-9-15(18(27)21-11-2-4-19-5-3-11)16(26-24-9)17-22-13-6-10-8-20-25-12(10)7-14(13)23-17/h6-8,11,19-20,25H,2-5H2,1H3,(H,21,27)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.				J Biol Chem 286: 6433-48 (2011) Article DOI: 10.1074/jbc.M110.156463 BindingDB Entry DOI: 10.7270/Q21C1VGQ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM17051 (BX-795 | BX-795, 3 | N-(3-{[5-iodo-4-({3-[(thiophe...) Show SMILES Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1 Show InChI InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.				J Biol Chem 286: 6433-48 (2011) Article DOI: 10.1074/jbc.M110.156463 BindingDB Entry DOI: 10.7270/Q21C1VGQ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM103938 (US8569511, 1) Show SMILES FC1(F)CC1C(=O)Nc1ccc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCOCC3)c2c1 Show InChI InChI=1S/C22H20F2N6O2/c23-22(24)11-15(22)21(31)25-12-1-3-16-14(9-12)19(29-28-16)20-26-17-4-2-13(10-18(17)27-20)30-5-7-32-8-6-30/h1-4,9-10,15H,5-8,11H2,(H,25,31)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description Inhibition of PDK1 mediated PI3K/Akt/mTOR pathway activation in human AN3CA cells assessed as reduction in ribosomal p70S6 protein phosphorylation af...				Bioorg Med Chem Lett 27: 5473-5480 (2017) Article DOI: 10.1016/j.bmcl.2017.10.041 BindingDB Entry DOI: 10.7270/Q2KD21JC
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM103939 (US8569511, 2) Show SMILES CC1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ccc(NC(=O)C3CC3(F)F)cc12 Show InChI InChI=1S/C23H22F2N6O2/c1-12-11-31(6-7-33-12)14-3-5-18-19(9-14)28-21(27-18)20-15-8-13(2-4-17(15)29-30-20)26-22(32)16-10-23(16,24)25/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,26,32)(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description Inhibition of PDK1 mediated PI3K/Akt/mTOR pathway activation in human AN3CA cells assessed as reduction in ribosomal p70S6 protein phosphorylation af...				Bioorg Med Chem Lett 27: 5473-5480 (2017) Article DOI: 10.1016/j.bmcl.2017.10.041 BindingDB Entry DOI: 10.7270/Q2KD21JC
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM92403 (PDK1 inhibitor, 4) Show SMILES COc1ccc(cc1)C#Cc1ccc2ncc3ncn(-c4ccc(CCN)cc4)c3c2c1 Show InChI InChI=1S/C27H22N4O/c1-32-23-11-6-19(7-12-23)2-3-21-8-13-25-24(16-21)27-26(17-29-25)30-18-31(27)22-9-4-20(5-10-22)14-15-28/h4-13,16-18H,14-15,28H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.				J Biol Chem 286: 6433-48 (2011) Article DOI: 10.1074/jbc.M110.156463 BindingDB Entry DOI: 10.7270/Q21C1VGQ
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50125816 (CHEMBL1439113) Show SMILES Cc1cccc(C)c1OCCSc1nc2ccccc2n1CC(O)=O Show InChI InChI=1S/C19H20N2O3S/c1-13-6-5-7-14(2)18(13)24-10-11-25-19-20-15-8-3-4-9-16(15)21(19)12-17(22)23/h3-9H,10-12H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Bioinformatics Institute (BII) Curated by ChEMBL					Assay Description Activation of human PDK1 catalytic activity using PIFtide as substrate after 1 hr by phosphor imager analysis in presence of [gamma-32P]-ATP relative...				J Med Chem 58: 8285-91 (2015) Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321383 (CHEMBL1171330 | QEMFRDFDYIADW) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:4.4,2.2,101.103,86.89,28.37,8.17,47.56,69.76,wD:96.99,39.45,58.68,77.85,20.25,109.111,(30.61,-7.98,;29.28,-8.75,;27.95,-7.98,;27.95,-6.44,;26.61,-8.75,;25.28,-7.98,;25.28,-5.98,;26.61,-5.21,;23.94,-5.21,;23.94,-3.67,;25.28,-2.9,;26.61,-3.67,;27.94,-2.9,;27.94,-1.37,;29.28,-.6,;26.61,-.6,;25.28,-1.37,;22.61,-5.99,;21.28,-5.22,;21.28,-3.68,;19.95,-5.99,;19.95,-7.53,;21.28,-8.3,;22.62,-7.53,;21.28,-9.84,;18.61,-5.22,;17.28,-5.98,;17.28,-7.52,;15.94,-5.21,;15.94,-3.67,;17.28,-2.9,;18.61,-3.67,;19.94,-2.9,;19.94,-1.37,;18.61,-.6,;17.28,-1.37,;14.61,-5.99,;13.28,-5.22,;13.28,-3.68,;11.95,-5.99,;11.95,-7.53,;13.28,-8.3,;14.62,-7.54,;13.28,-9.84,;10.61,-5.22,;9.27,-5.98,;9.27,-7.52,;7.94,-5.21,;7.94,-3.67,;9.27,-2.9,;9.27,-1.36,;10.61,-.6,;10.6,.94,;9.28,1.71,;11.95,1.71,;6.61,-5.99,;5.28,-5.22,;5.28,-3.68,;3.94,-5.99,;3.94,-7.53,;5.28,-8.3,;6.61,-7.53,;7.94,-8.3,;7.93,-9.84,;6.6,-10.61,;5.27,-9.84,;2.61,-5.22,;1.27,-5.98,;1.27,-7.52,;-.06,-5.21,;-.06,-3.67,;1.27,-2.9,;1.27,-1.36,;2.61,-.59,;-1.4,-5.98,;-2.73,-5.21,;-2.73,-3.67,;-4.06,-5.98,;-4.06,-7.52,;-2.73,-8.29,;-2.73,-9.83,;-4.06,-10.61,;-1.4,-10.6,;-5.4,-5.21,;-6.73,-5.97,;-6.73,-7.51,;-8.07,-5.2,;-9.4,-5.98,;-8.07,-3.66,;-6.73,-2.89,;-6.73,-1.35,;-8.06,-.59,;-5.4,-.58,;26.61,-10.29,;25.28,-11.06,;27.94,-11.07,;27.93,-12.61,;26.6,-13.38,;29.27,-13.38,;30.6,-12.61,;29.27,-14.92,;30.6,-15.69,;31.94,-14.92,;33.27,-15.69,;33.28,-17.24,;34.6,-14.92,;30.6,-17.23,;29.27,-18,;31.93,-18,;31.93,-19.54,;30.6,-20.31,;30.6,-21.85,;31.84,-22.76,;31.37,-24.22,;29.83,-24.22,;28.8,-25.36,;27.29,-25.03,;26.81,-23.58,;27.84,-22.43,;29.35,-22.76,;33.26,-20.31,;33.26,-21.86,;34.6,-19.54,)| Show InChI InChI=1S/C80H106N18O24S/c1-5-41(2)66(78(120)87-42(3)67(109)91-57(37-63(103)104)76(118)97-60(79(121)122)36-46-40-86-50-20-13-12-19-48(46)50)98-77(119)56(35-45-22-24-47(99)25-23-45)94-75(117)59(39-65(107)108)96-73(115)55(34-44-17-10-7-11-18-44)93-74(116)58(38-64(105)106)95-69(111)51(21-14-31-85-80(83)84)89-72(114)54(33-43-15-8-6-9-16-43)92-71(113)53(30-32-123-4)90-70(112)52(27-29-62(101)102)88-68(110)49(81)26-28-61(82)100/h6-13,15-20,22-25,40-42,49,51-60,66,86,99H,5,14,21,26-39,81H2,1-4H3,(H2,82,100)(H,87,120)(H,88,110)(H,89,114)(H,90,112)(H,91,109)(H,92,113)(H,93,116)(H,94,117)(H,95,111)(H,96,115)(H,97,118)(H,98,119)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,121,122)(H4,83,84,85)/t41-,42-,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50399649 (CHEMBL2177659) Show SMILES OC(=O)C(C(CC(=O)c1ccc(I)cc1)c1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C22H17IO5/c23-17-9-7-14(8-10-17)19(24)12-18(20(21(25)26)22(27)28)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,18,20H,12H2,(H,25,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Increase in thermal stability of PDK1 by differential scanning fluorimetry				J Med Chem 55: 9817-30 (2012) Article DOI: 10.1021/jm3010477 BindingDB Entry DOI: 10.7270/Q2PV6MHW
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50399645 (CHEMBL1213203) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C135H197N35O44S2/c1-9-67(5)107(129(210)148-69(7)109(190)158-92(60-104(184)185)123(204)162-91(122(203)167-96(65-215)132(213)214)59-73-63-147-77-29-18-17-27-75(73)77)169-126(207)90(58-72-33-35-74(172)36-34-72)161-125(206)94(62-106(188)189)164-121(202)89(57-71-25-15-12-16-26-71)160-124(205)93(61-105(186)187)163-111(192)78(30-20-51-145-134(140)141)149-120(201)88(56-70-23-13-11-14-24-70)159-117(198)85(49-54-216-8)155-116(197)83(40-46-101(178)179)151-112(193)80(37-43-98(137)173)150-113(194)81(38-44-99(174)175)152-114(195)82(39-45-100(176)177)153-115(196)84(41-47-102(180)181)154-127(208)95(64-171)166-119(200)87(55-66(3)4)165-130(211)108(68(6)10-2)168-118(199)79(31-21-52-146-135(142)143)156-128(209)97-32-22-53-170(97)131(212)86(42-48-103(182)183)157-110(191)76(136)28-19-50-144-133(138)139/h11-18,23-27,29,33-36,63,66-69,76,78-97,107-108,147,171-172,215H,9-10,19-22,28,30-32,37-62,64-65,136H2,1-8H3,(H2,137,173)(H,148,210)(H,149,201)(H,150,194)(H,151,193)(H,152,195)(H,153,196)(H,154,208)(H,155,197)(H,156,209)(H,157,191)(H,158,190)(H,159,198)(H,160,205)(H,161,206)(H,162,204)(H,163,192)(H,164,202)(H,165,211)(H,166,200)(H,167,203)(H,168,199)(H,169,207)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,213,214)(H4,138,139,144)(H4,140,141,145)(H4,142,143,146)/t67-,68-,69-,76-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,107-,108-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.42E+4	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Increase in thermal stability of PDK1 by differential scanning fluorimetry				J Med Chem 55: 9817-30 (2012) Article DOI: 10.1021/jm3010477 BindingDB Entry DOI: 10.7270/Q2PV6MHW
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321377 (2-(3-(4-chlorophenylthio)-2-oxo-2,3,4,5-tetrahydro...) Show SMILES OC(=O)CN1c2ccccc2CCC(Sc2ccc(Cl)cc2)C1=O Show InChI InChI=1S/C18H16ClNO3S/c19-13-6-8-14(9-7-13)24-16-10-5-12-3-1-2-4-15(12)20(18(16)23)11-17(21)22/h1-4,6-9,16H,5,10-11H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50399648 (CHEMBL2177686) Show SMILES OC(=O)C(C(CC(=O)c1ccc2c(c1)[nH]c1ccccc21)c1ccccc1)C(O)=O Show InChI InChI=1S/C24H19NO5/c26-21(13-18(14-6-2-1-3-7-14)22(23(27)28)24(29)30)15-10-11-17-16-8-4-5-9-19(16)25-20(17)12-15/h1-12,18,22,25H,13H2,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Increase in thermal stability of PDK1 by differential scanning fluorimetry				J Med Chem 55: 9817-30 (2012) Article DOI: 10.1021/jm3010477 BindingDB Entry DOI: 10.7270/Q2PV6MHW
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50125791 (CHEMBL3623844) Show SMILES Cc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)c(C)c1 Show InChI InChI=1S/C19H20N2O3S/c1-13-7-8-17(14(2)11-13)24-9-10-25-19-20-15-5-3-4-6-16(15)21(19)12-18(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a
Bioinformatics Institute (BII) Curated by ChEMBL					Assay Description Activation of human PDK1 catalytic activity using PIFtide as substrate after 1 hr by phosphor imager analysis in presence of [gamma-32P]-ATP relative...				J Med Chem 58: 8285-91 (2015) Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321381 (2-(3-(2,6-dichlorophenylthio)-2-oxo-2,3,4,5-tetrah...) Show SMILES OC(=O)CN1c2ccccc2CCC(Sc2c(Cl)cccc2Cl)C1=O Show InChI InChI=1S/C18H15Cl2NO3S/c19-12-5-3-6-13(20)17(12)25-15-9-8-11-4-1-2-7-14(11)21(18(15)24)10-16(22)23/h1-7,15H,8-10H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50125790 (CHEMBL3623846) Show SMILES OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1 |r| Show InChI InChI=1S/C18H21FNO3P/c19-16-10-8-14(9-11-16)18(24(21,22)23)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-11,15,18,20H,3,5-6,12H2,(H2,21,22,23)/t15-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a
Bioinformatics Institute (BII) Curated by ChEMBL					Assay Description Activation of human PDK1 catalytic activity using PIFtide as substrate after 1 hr by phosphor imager analysis in presence of [gamma-32P]-ATP relative...				J Med Chem 58: 8285-91 (2015) Article DOI: 10.1021/acs.jmedchem.5b01216 BindingDB Entry DOI: 10.7270/Q2NS0WR2
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321378 (2-(3-(4-methoxyphenylthio)-2-oxo-2,3,4,5-tetrahydr...) Show SMILES COc1ccc(SC2CCc3ccccc3N(CC(O)=O)C2=O)cc1 Show InChI InChI=1S/C19H19NO4S/c1-24-14-7-9-15(10-8-14)25-17-11-6-13-4-2-3-5-16(13)20(19(17)23)12-18(21)22/h2-5,7-10,17H,6,11-12H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50399647 (CHEMBL2177670) Show SMILES OC(=O)C(C(CC(=O)c1ccc(I)cc1)c1ccccc1)C(O)=O Show InChI InChI=1S/C18H15IO5/c19-13-8-6-12(7-9-13)15(20)10-14(11-4-2-1-3-5-11)16(17(21)22)18(23)24/h1-9,14,16H,10H2,(H,21,22)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Increase in thermal stability of PDK1 by differential scanning fluorimetry				J Med Chem 55: 9817-30 (2012) Article DOI: 10.1021/jm3010477 BindingDB Entry DOI: 10.7270/Q2PV6MHW
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321380 (4-(1-(carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-b...) Show SMILES OC(=O)CN1c2ccccc2CCC(Sc2ccc(Cl)cc2Cl)C1=O Show InChI InChI=1S/C18H15Cl2NO3S/c19-12-6-8-15(13(20)9-12)25-16-7-5-11-3-1-2-4-14(11)21(18(16)24)10-17(22)23/h1-4,6,8-9,16H,5,7,10H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50399646 (CHEMBL2177668 | PS210) Show SMILES OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	8.58E+4	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Increase in thermal stability of PDK1 by differential scanning fluorimetry				J Med Chem 55: 9817-30 (2012) Article DOI: 10.1021/jm3010477 BindingDB Entry DOI: 10.7270/Q2PV6MHW
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321376 (2-(2-oxo-3-(phenylthio)-2,3,4,5-tetrahydro-1H-benz...) Show SMILES OC(=O)CN1c2ccccc2CCC(Sc2ccccc2)C1=O Show InChI InChI=1S/C18H17NO3S/c20-17(21)12-19-15-9-5-4-6-13(15)10-11-16(18(19)22)23-14-7-2-1-3-8-14/h1-9,16H,10-12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321382 (2-(3-(4-chlorophenyl)-3-oxo-1-phenylpropylthio)ace...) Show SMILES OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C17H15ClO3S/c18-14-8-6-12(7-9-14)15(19)10-16(22-11-17(20)21)13-4-2-1-3-5-13/h1-9,16H,10-11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321382 (2-(3-(4-chlorophenyl)-3-oxo-1-phenylpropylthio)ace...) Show SMILES OC(=O)CSC(CC(=O)c1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C17H15ClO3S/c18-14-8-6-12(7-9-14)15(19)10-16(22-11-17(20)21)13-4-2-1-3-5-13/h1-9,16H,10-11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.33E+5	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive binding affinity to GST-PDK1 (unknown origin) preincubated for 1 to 10 mins by surface plasmon resonance in presence of biotin-PIFtide				J Med Chem 56: 2726-37 (2013) Article DOI: 10.1021/jm4000227 BindingDB Entry DOI: 10.7270/Q24Q7WCF
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321379 (4-(1-(carboxymethyl)-2-oxo-2,3,4,5-tetrahydro-1H-b...) Show SMILES OC(=O)CN1c2ccccc2CCC(Sc2ccc(cc2)C(O)=O)C1=O Show InChI InChI=1S/C19H17NO5S/c21-17(22)11-20-15-4-2-1-3-12(15)7-10-16(18(20)23)26-14-8-5-13(6-9-14)19(24)25/h1-6,8-9,16H,7,10-11H2,(H,21,22)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.87E+5	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50321375 (2-(2-oxo-3-(phenylamino)-2,3,4,5-tetrahydro-1H-ben...) Show SMILES OC(=O)CN1c2ccccc2CCC(Nc2ccccc2)C1=O Show InChI InChI=1S/C18H18N2O3/c21-17(22)12-20-16-9-5-4-6-13(16)10-11-15(18(20)23)19-14-7-2-1-3-8-14/h1-9,15,19H,10-12H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Displacement of PIFtide from His-tagged PDK1 by HTRF assay				Bioorg Med Chem Lett 20: 3897-902 (2010) Article DOI: 10.1016/j.bmcl.2010.05.019 BindingDB Entry DOI: 10.7270/Q2Z60Q1H
					More data for this Ligand-Target Pair