Found 59 hits of Enzyme Inhibition Constant Data 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 |
|---|
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50121212
(CHEMBL3622372)Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of Vps34 (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50197065
(CHEMBL3913354)Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2 | PDB
KEGG
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
DrugBank
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50436459
(CHEMBL2396661)Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1 | PDB
MMDB
NCI pathway
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KEGG
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| PDB
Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) by KinaseGlo assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB
MMDB
NCI pathway
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KEGG
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged human recombinant PIK3CD/PIK3R1 using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
MMDB
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KEGG
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50197065
(CHEMBL3913354)Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
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PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha/p85alpha (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput ... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50395821
(CHEMBL2165191)Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
ATP competitive inhibition of human recombinant PI3Kbeta assessed as PIP3 production by Alpha-screen assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM81368
(PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | PDB
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antibodypedia
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha/p85alpha (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput ... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM81368
(PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM119531
(US11547697, Compound 529 | US9682141, 529 | US9682...)Show SMILES Nc1nc2cc(ccc2o1)-c1ccc2ncc(C(=O)N3CCOCC3)n2c1 Show InChI InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22) | PDB
MMDB
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KEGG
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant PI3Kalpha (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50042924
(CHEMBL1229535)Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
DrugBank
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PC sid
PDB
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Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput membrane ... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50156294
(CHEMBL3781415)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) | PDB
MMDB
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| PDB
Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of Vps34 (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50197062
(Pilaralisib | SAR-245408 | XL-147)Show SMILES COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1 Show InChI InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32) | PDB
MMDB
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Reactome pathway
KEGG
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| Article
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3Kgamma by luciferase-luciferin-coupled chemiluminescence assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50197064
(CHEMBL3922359)Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7- | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha/p85alpha (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or high-throughput ... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
PC cid
PC sid
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| PDB
Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of his-tagged human recombinant PIK3CD/PIK3R1 by Select-screen kinase inhibitor assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50197065
(CHEMBL3913354)Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay o... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3KC2alpha using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | NCI pathway
Reactome pathway
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Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3KC2beta using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM81368
(PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | PDB
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2alpha (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay ... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50042924
(CHEMBL1229535)Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM81368
(PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | NCI pathway
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Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay o... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50197067
(CHEMBL3913746)Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccnc(Cl)c2)n1 Show InChI InChI=1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28) | PDB
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| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of Vps34 (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50323735
(CHEMBL1213168 | N-(3-(3,5-dimethoxyphenylamino)qui...)Show SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc(OC)c1 Show InChI InChI=1S/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-13H,1-2H3,(H,24,25)(H,26,27) | PDB
MMDB
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| MMDB
Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal 6x-his-tagged human recombinant PIK3Cdelta (431 to 600 residues) expressed in Sdf9 cells using diC8-PIP2 incubated for 1 hr ... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM50197064
(CHEMBL3922359)Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7- | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2alpha (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay ... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | NCI pathway
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3KC2beta using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50042924
(CHEMBL1229535)Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) | PDB
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Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant VPS34 (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50197064
(CHEMBL3922359)Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7- | NCI pathway
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay o... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB
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PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
MMDB
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| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM92862
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3 | PDB
MMDB
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| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Vps34 using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50197066
(CHEMBL3903959)Show SMILES CC(=O)Nc1ccc2nc(nc(N3CCOCC3)c2c1)-c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1 Show InChI InChI=1S/C30H27N5O4S/c1-20(36)31-24-10-12-28-27(19-24)30(35-13-15-39-16-14-35)33-29(32-28)23-7-4-8-25(17-23)34-40(37,38)26-11-9-21-5-2-3-6-22(21)18-26/h2-12,17-19,34H,13-16H2,1H3,(H,31,36) | NCI pathway
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| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human recombinant PI3KC2beta expressed in Sf9 cells |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | NCI pathway
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PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2beta (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50042926
(CHEMBL3354565)Show SMILES CC(=O)Nc1ccc2nc(nc(N3CCOCC3)c2c1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H25N5O4S/c1-18(32)27-20-10-11-24-23(17-20)26(31-12-14-35-15-13-31)29-25(28-24)19-6-5-7-21(16-19)30-36(33,34)22-8-3-2-4-9-22/h2-11,16-17,30H,12-15H2,1H3,(H,27,32) | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human recombinant PI3KC2beta expressed in Sf9 cells |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM81368
(PIK90)Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24) | PDB
MMDB
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| n/a | n/a | 830 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant VPS34 (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM50197065
(CHEMBL3913354)Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2 | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2alpha (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay ... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | NCI pathway
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3KC2beta by Select-screen kinase inhibitor assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50197064
(CHEMBL3922359)Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7- | PDB
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50197065
(CHEMBL3913354)Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2 | PDB
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| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human Vps34 assessed as reduction in lipid kinase activity using PV5122 substrate incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50156294
(CHEMBL3781415)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) | PDB
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| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50197062
(Pilaralisib | SAR-245408 | XL-147)Show SMILES COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1 Show InChI InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32) | PDB
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| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human DNA-PK by by luciferase-luciferin-coupled chemiluminescence assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
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| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNA-PK by Select-screen kinase inhibitor assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50197062
(Pilaralisib | SAR-245408 | XL-147)Show SMILES COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)N)c2)c1 Show InChI InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32) | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal tagged full-length human VPS34 by luciferase-luciferin-coupled chemiluminescence assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM50121212
(CHEMBL3622372)Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F |r| 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 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2alpha (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50197064
(CHEMBL3922359)Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7- | PDB
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant VPS34 (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma
(Homo sapiens (Human)) | BDBM50197067
(CHEMBL3913746)Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccnc(Cl)c2)n1 Show InChI InChI=1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2gamma (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50121212
(CHEMBL3622372)Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F |r| 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 | NCI pathway
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2beta (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM50197067
(CHEMBL3913746)Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccnc(Cl)c2)n1 Show InChI InChI=1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2alpha (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma
(Homo sapiens (Human)) | BDBM50121212
(CHEMBL3622372)Show SMILES C[C@@H]1COCCN1c1cc(=O)n2CC[C@H](N(Cc3cncc(Cl)c3)c2n1)C(F)(F)F |r| 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 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2gamma (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2alpha (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50197067
(CHEMBL3913746)Show SMILES CC(C)(O)CNc1ncc(c(CC2CC2)n1)-c1ccnc(Nc2ccnc(Cl)c2)n1 Show InChI InChI=1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28) | NCI pathway
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2beta (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta
(Homo sapiens (Human)) | BDBM50042924
(CHEMBL1229535)Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) | NCI pathway
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2beta (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay o... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM50042924
(CHEMBL1229535)Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20) | PDB
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| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of PI3KC2alpha (unknown origin) expressed in HEK293 cells using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay ... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PI3KC2alpha using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of Vps34 (unknown origin) |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50315213
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2 | PDB
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CHEMBL
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PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Vps34 using substrate PI incubated for 1 hr by Adapta kinase assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50403068
(CHEMBL2216870 | IDELALISIB | US9745321, CAL-101)Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1 | PDB
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| n/a | n/a | 9.78E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant Vps34 by Select-screen kinase inhibitor assay |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase catalytic subunit type 3
(Homo sapiens (Human)) | BDBM50197065
(CHEMBL3913354)Show InChI InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)17-12-16-15-5-2-6-21-20(15)26-18(16)19(22-17)23-7-9-25-10-8-23/h1-6,11-12,24H,7-10H2 | PDB
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| n/a | n/a | 2.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Curtin University
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant VPS34 (unknown origin) using phosphatidylinositol and gamma-32P-ATP incubated for 20 mins by TLC assay or... |
J Med Chem 60: 47-65 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00963
BindingDB Entry DOI: 10.7270/Q2PG1TPX |
More data for this
Ligand-Target Pair | |
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