Compile Data Set for Download or QSAR
Found 1651 of ic50 for UniProtKB: Q8NEB9
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50156294(CHEMBL3781415)
Show SMILES Nc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccncc2)n1
Show InChI InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
Affinity DataIC50: 0.0180nMAssay Description:Inhibition of Vps34 (unknown origin)More data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM528011(US11179399, Example 44_1)
Show SMILES COc1cccc(c1)[C@@H]1CCCCN1c1cc(cc(=O)[nH]1)N1CCOC[C@H]1C
Affinity DataIC50: 1nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50121212(CHEMBL3622372)
Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F
Show InChI InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Vps34 (unknown origin)More data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50121212(CHEMBL3622372)
Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F
Show InChI InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibition of recombinant human Vps34 by TR-FRET analysisMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50121212(CHEMBL3622372)
Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F
Show InChI InChI=1S/C19H21ClF3N5O2/c1-12-11-30-5-4-26(12)16-7-17(29)27-3-2-15(19(21,22)23)28(18(27)25-16)10-13-6-14(20)9-24-8-13/h6-9,12,15H,2-5,10-11H2,1H3/t12-,15+/m1/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibition of Vps34 (unknown origin)More data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50506332(CHEMBL4561242)
Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H](C)N2CCC(CC2)C(C)(C)O)c1
Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m0/s1
Affinity DataIC50: 1.60nMAssay Description:Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503142(CHEMBL4517404)
Show SMILES O[C@H](CN1[C@@H](CCn2c1nc(cc2=O)N1CCOCC1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H23F3N4O3/c21-20(22,23)16-6-7-26-18(29)12-17(25-8-10-30-11-9-25)24-19(26)27(16)13-15(28)14-4-2-1-3-5-14/h1-5,12,15-16,28H,6-11,13H2/t15-,16+/m1/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of Vps34 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503132(CHEMBL4586628)
Show SMILES CC(C)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1CCOC[C@H]1C)C(F)(F)F
Show InChI InChI=1S/C18H25F3N4O3/c1-11(2)13(26)9-25-14(18(19,20)21)4-5-24-16(27)8-15(22-17(24)25)23-6-7-28-10-12(23)3/h8,11-12,14H,4-7,9-10H2,1-3H3/t12-,14+/m1/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of Vps34 (unknown origin)More data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM527982(US11179399, Example 25_1)
Show SMILES C[C@@H]1COCCN1c1cc([nH]c(=O)c1)N1CCCC[C@H]1C(F)(F)F
Affinity DataIC50: 2nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50357652(CHEMBL1914726)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccc(-c3cccnc3)c2c1
Show InChI InChI=1S/C25H16ClFN4O2S/c26-25-24(31-34(32,33)20-6-4-19(27)5-7-20)13-18(15-30-25)16-3-8-23-22(12-16)21(9-11-29-23)17-2-1-10-28-14-17/h1-15,31H
Affinity DataIC50: 2.90nMAssay Description:Inhibition of human VPS34 assessed as ADP formation using ATP by fluorescence-based immunoassayMore data for this Ligand-Target Pair
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM528013(6-[4-acetyl-2-(trifluoromethyl)piperazin-1-yl]-4-[...)
Show SMILES C[C@@H]1COCCN1c1cc([nH]c(=O)c1)N1CCN(CC1C(F)(F)F)C(C)=O
Affinity DataIC50: 3nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50503135(CHEMBL4536755)
Show SMILES O[C@@H](CN1[C@@H](CCn2c1nc(cc2=O)N1CCOCC1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H23F3N4O3/c21-20(22,23)16-6-7-26-18(29)12-17(25-8-10-30-11-9-25)24-19(26)27(16)13-15(28)14-4-2-1-3-5-14/h1-5,12,15-16,28H,6-11,13H2/t15-,16-/m0/s1
Affinity DataIC50: 3nMAssay Description:Inhibition of Vps34 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM528009(US11179399, Example 43_1)
Show SMILES C[C@@H]1COCCN1c1cc([nH]c(=O)c1)N1CCOC[C@H]1C(F)(F)F
Affinity DataIC50: 3nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50506327(CHEMBL4449047)
Show SMILES COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1
Show InChI InChI=1S/C28H41N3O7S/c1-19(31-8-6-23(7-9-31)28(2,3)32)16-38-26-14-20(12-22-17-37-18-24(22)26)21-13-25(27(36-5)29-15-21)30-39(33,34)11-10-35-4/h12-15,19,23,30,32H,6-11,16-18H2,1-5H3/t19-/m1/s1
Affinity DataIC50: 3.20nMAssay Description:Inhibition of VPS34 in human HL60 cell extract measured after 2 hrs by kinobeads based pull down assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM527937(6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(3-methyl...)
Show SMILES COc1cccc(c1)C1CCCN1c1cc(cc(=O)[nH]1)N1CCOCC1C
Affinity DataIC50: 4nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM527981((R) and (S) 4-[(3R)-3-methylmorpholin-4-yl]-6-[2-(...)
Show SMILES C[C@@H]1COCCN1c1cc([nH]c(=O)c1)N1CCCCC1C(F)(F)F
Affinity DataIC50: 4nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532281(6-(2-Chlorophenyl)-4-[2-[(2-methylpyrimidin-4-yl)a...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2ccccc2Cl)n1
Show InChI InChI=1S/C21H16ClN5O/c1-13-23-9-7-19(25-13)27-20-11-14(6-8-24-20)15-10-18(26-21(28)12-15)16-4-2-3-5-17(16)22/h2-12H,1H3,(H,26,28)(H,23,24,25,27)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532955(N-[4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4-yl]-2-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1ccccc1Cl
Show InChI InChI=1S/C18H14ClN3O2/c1-11(23)21-17-9-12(6-7-20-17)13-8-16(22-18(24)10-13)14-4-2-3-5-15(14)19/h2-10H,1H3,(H,22,24)(H,20,21,23)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532960(N-[4-[2-oxo-6-[2-(trifluoromethyl)-1-piperidyl]-1H...)
Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc(NC(=O)C2CC2)c1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532961(N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]-...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)N1CCOCC1C(F)(F)F
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532962(N-[4-[2-[4-ethylsulfonyl-2-(trifluoromethyl)pipera...)
Show SMILES CCS(=O)(=O)N1CCN(C(C1)C(F)(F)F)c1cc(cc(=O)[nH]1)-c1ccnc(NC(C)=O)c1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532963(N-[4-[2-(3-cyclopropylmorpholin-4-yl)-6-oxo-1H-pyr...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)N1CCOCC1C1CC1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532964(N-[4-[2-oxo-6-[2-(trifluoromethyl)phenyl]-1H-pyrid...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O2/c1-11(26)24-17-9-12(6-7-23-17)13-8-16(25-18(27)10-13)14-4-2-3-5-15(14)19(20,21)22/h2-10H,1H3,(H,25,27)(H,23,24,26)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532965(N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridyl]-1H-p...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1cccnc1C(F)(F)F
Show InChI InChI=1S/C18H13F3N4O2/c1-10(26)24-15-8-11(4-6-22-15)12-7-14(25-16(27)9-12)13-3-2-5-23-17(13)18(19,20)21/h2-9H,1H3,(H,25,27)(H,22,24,26)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532966(N-[4-[2-(2-methyl-3-pyridyl)-6-oxo-1H-pyridin-4-yl...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1cccnc1C
Show InChI InChI=1S/C18H16N4O2/c1-11-15(4-3-6-19-11)16-8-14(10-18(24)22-16)13-5-7-20-17(9-13)21-12(2)23/h3-10H,1-2H3,(H,22,24)(H,20,21,23)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532968(N-[4-[2-oxo-6-[4-(trifluoromethyl)-3-thienyl]-1H-p...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1cscc1C(F)(F)F
Show InChI InChI=1S/C17H12F3N3O2S/c1-9(24)22-15-5-10(2-3-21-15)11-4-14(23-16(25)6-11)12-7-26-8-13(12)17(18,19)20/h2-8H,1H3,(H,23,25)(H,21,22,24)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532969(N-[4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-...)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(cc(=O)[nH]1)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C18H16F3N5O2/c1-3-26-9-13(17(25-26)18(19,20)21)14-6-12(8-16(28)24-14)11-4-5-22-15(7-11)23-10(2)27/h4-9H,3H2,1-2H3,(H,24,28)(H,22,23,27)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532970(Methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)N1CCOCC1C(F)(F)F
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532971(Methyl N-[4-[2-oxo-6-[2-(trifluoromethyl)phenyl]-1...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3/c1-28-18(27)25-16-9-11(6-7-23-16)12-8-15(24-17(26)10-12)13-4-2-3-5-14(13)19(20,21)22/h2-10H,1H3,(H,24,26)(H,23,25,27)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532972(Methyl N-[4-[2-(2-chlorophenyl)-6-oxo-1H-pyridin-4...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1ccccc1Cl
Show InChI InChI=1S/C18H14ClN3O3/c1-25-18(24)22-16-9-11(6-7-20-16)12-8-15(21-17(23)10-12)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,21,23)(H,20,22,24)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532973(Methyl N-[4-[2-oxo-6-[2-(trifluoromethyl)-3-pyridy...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1cccnc1C(F)(F)F
Show InChI InChI=1S/C18H13F3N4O3/c1-28-17(27)25-14-8-10(4-6-22-14)11-7-13(24-15(26)9-11)12-3-2-5-23-16(12)18(19,20)21/h2-9H,1H3,(H,24,26)(H,22,25,27)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532974(Methyl N-[4-[2-[1-ethyl-3-(trifluoromethyl)pyrazol...)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(cc(=O)[nH]1)-c1ccnc(NC(=O)OC)c1
Show InChI InChI=1S/C18H16F3N5O3/c1-3-26-9-12(16(25-26)18(19,20)21)13-6-11(8-15(27)23-13)10-4-5-22-14(7-10)24-17(28)29-2/h4-9H,3H2,1-2H3,(H,23,27)(H,22,24,28)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532979(Methyl N-[4-[2-oxo-6-[2-(trifluoromethyl)-1-piperi...)
Show SMILES COC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)N1CCCCC1C(F)(F)F
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532279(6-[1-Ethyl-3-(trifluoromethyl)pyrazol-4-yl]-4-[2-[...)
Show SMILES CCn1cc(c(n1)C(F)(F)F)-c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccnc(C)n2)c1
Show InChI InChI=1S/C21H18F3N7O/c1-3-31-11-15(20(30-31)21(22,23)24)16-8-14(10-19(32)28-16)13-4-6-26-18(9-13)29-17-5-7-25-12(2)27-17/h4-11H,3H2,1-2H3,(H,28,32)(H,25,26,27,29)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532278(4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2cccnc2C(F)(F)F)n1
Show InChI InChI=1S/C21H15F3N6O/c1-12-25-8-5-17(28-12)30-18-10-13(4-7-26-18)14-9-16(29-19(31)11-14)15-3-2-6-27-20(15)21(22,23)24/h2-11H,1H3,(H,29,31)(H,25,26,28,30)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532277(6-(4-Methyl-3-pyridyl)-4-[2-[(2-methylpyrimidin-4-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2cnccc2C)n1
Show InChI InChI=1S/C21H18N6O/c1-13-3-6-22-12-17(13)18-9-16(11-21(28)26-18)15-4-7-24-20(10-15)27-19-5-8-23-14(2)25-19/h3-12H,1-2H3,(H,26,28)(H,23,24,25,27)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532274(4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)-c2ccccc2C(F)(F)F)n1
Show InChI InChI=1S/C22H16F3N5O/c1-13-26-9-7-19(28-13)30-20-11-14(6-8-27-20)15-10-18(29-21(31)12-15)16-4-2-3-5-17(16)22(23,24)25/h2-12H,1H3,(H,29,31)(H,26,27,28,30)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532272(4-[2-(Oxazol-2-ylamino)-4-pyridyl]-6-[3-(trifluoro...)
Show SMILES FC(F)(F)C1COCCN1c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ncco2)c1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532271(6-[4-Ethylsulfonyl-2-(trifluoromethyl)piperazin-1-...)
Show SMILES CCS(=O)(=O)N1CCN(C(C1)C(F)(F)F)c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccnc(C)n2)c1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532270(6-[4-[(4-Fluorophenyl)methylsulfonyl]-2-(trifluoro...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCN(CC2C(F)(F)F)S(=O)(=O)Cc2ccc(F)cc2)n1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532269(4-(2-Anilinopyrimidin-4-yl)-6-[3-(trifluoromethyl)...)
Show SMILES FC(F)(F)C1COCCN1c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccccc2)n1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532268(4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCOCC2C(F)(F)F)n1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532267(4-(2-Anilinopyrimidin-4-yl)-6-[2-(trifluoromethyl)...)
Show SMILES FC(F)(F)C1CCCCN1c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccccc2)n1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532266(4-[2-[(2-Methylpyrimidin-4-yl)amino]-4-pyridyl]-6-...)
Show SMILES Cc1nccc(Nc2cc(ccn2)-c2cc([nH]c(=O)c2)N2CCCCC2C(F)(F)F)n1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532265(4-(2-anilinopyrimidin-4-yl)-6-morpholino-1H-pyridi...)
Show SMILES O=c1cc(cc([nH]1)N1CCOCC1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C19H19N5O2/c25-18-13-14(12-17(23-18)24-8-10-26-11-9-24)16-6-7-20-19(22-16)21-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,23,25)(H,20,21,22)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532263(4-(2-Anilinopyrimidin-4-yl)-6-(3-pyridyl)-1H-pyrid...)
Show SMILES O=c1cc(cc([nH]1)-c1cccnc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C20H15N5O/c26-19-12-15(11-18(24-19)14-5-4-9-21-13-14)17-8-10-22-20(25-17)23-16-6-2-1-3-7-16/h1-13H,(H,24,26)(H,22,23,25)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532262(4-(2-anilinopyrimidin-4-yl)-6-(2-chlorophenyl)-1H-...)
Show SMILES Clc1ccccc1-c1cc(cc(=O)[nH]1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H15ClN4O/c22-17-9-5-4-8-16(17)19-12-14(13-20(27)25-19)18-10-11-23-21(26-18)24-15-6-2-1-3-7-15/h1-13H,(H,25,27)(H,23,24,26)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM528014(6-[4-(5-fluoropyridine-3-carbonyl)-2-(trifluoromet...)
Show SMILES C[C@@H]1COCCN1c1cc([nH]c(=O)c1)N1CCN(CC1C(F)(F)F)C(=O)c1cncc(F)c1
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM532967(N-[4-[2-(4-methyl-3-pyridyl)-6-oxo-1H-pyridin-4-yl...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cc([nH]c(=O)c1)-c1cnccc1C
Show InChI InChI=1S/C18H16N4O2/c1-11-3-5-19-10-15(11)16-7-14(9-18(24)22-16)13-4-6-20-17(8-13)21-12(2)23/h3-10H,1-2H3,(H,22,24)(H,20,21,23)
Affinity DataIC50: 5nMAssay Description:Dilution series of compounds of the invention were prepared in DMSO at 100 times the final assay concentration (n1=n0/3 in 10 points). The compounds ...More data for this Ligand-Target Pair
Ligand Info
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50357658(CHEMBL1914743)
Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(nc2c1)N1CCOCC1
Show InChI InChI=1S/C23H19ClFN5O3S/c24-23-21(29-34(31,32)18-4-2-17(25)3-5-18)12-16(13-27-23)15-1-6-19-20(11-15)28-22(14-26-19)30-7-9-33-10-8-30/h1-6,11-14,29H,7-10H2
Affinity DataIC50: 5nMAssay Description:Inhibition of human VPS34 assessed as ADP formation using ATP by fluorescence-based immunoassayMore data for this Ligand-Target Pair
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