Found 25 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 |
|---|
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315915
(5-(7-methyl-6-(3-(methylsulfonyl)phenyl)-4-morphol...)Show SMILES Cc1c(sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C22H22N6O3S2/c1-13-17-19(32-18(13)14-4-3-5-16(10-14)33(2,29)30)21(28-6-8-31-9-7-28)27-20(26-17)15-11-24-22(23)25-12-15/h3-5,10-12H,6-9H2,1-2H3,(H2,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315914
((3-(2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C27H30N8O2S/c1-17-21-23(25(34-10-12-37-13-11-34)32-24(31-21)20-15-29-27(28)30-16-20)38-22(17)18-4-3-5-19(14-18)26(36)35-8-6-33(2)7-9-35/h3-5,14-16H,6-13H2,1-2H3,(H2,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315911
(5-(6-(3-(methylsulfonyl)phenyl)-4-morpholinothieno...)Show SMILES CS(=O)(=O)c1cccc(c1)-c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C21H20N6O3S2/c1-32(28,29)15-4-2-3-13(9-15)17-10-16-18(31-17)20(27-5-7-30-8-6-27)26-19(25-16)14-11-23-21(22)24-12-14/h2-4,9-12H,5-8H2,1H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315908
(CHEMBL1090598 | N-((2-(2-aminopyrimidin-5-yl)-4-mo...)Show SMILES CN(Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1)S(C)(=O)=O Show InChI InChI=1S/C17H21N7O3S2/c1-23(29(2,25)26)10-12-7-13-14(28-12)16(24-3-5-27-6-4-24)22-15(21-13)11-8-19-17(18)20-9-11/h7-9H,3-6,10H2,1-2H3,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315913
((3-(2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C26H28N8O2S/c1-32-5-7-34(8-6-32)25(35)18-4-2-3-17(13-18)21-14-20-22(37-21)24(33-9-11-36-12-10-33)31-23(30-20)19-15-28-26(27)29-16-19/h2-4,13-16H,5-12H2,1H3,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315907
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50312606
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315912
(CHEMBL1091979 | N-((2-(2-aminopyrimidin-5-yl)-7-me...)Show SMILES CN(Cc1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1)C(C)=O Show InChI InChI=1S/C19H23N7O2S/c1-11-14(10-25(3)12(2)27)29-16-15(11)23-17(13-8-21-19(20)22-9-13)24-18(16)26-4-6-28-7-5-26/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50304689
(5-(4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimid...)Show InChI InChI=1S/C14H14N6OS/c15-14-16-7-9(8-17-14)12-18-10-1-6-22-11(10)13(19-12)20-2-4-21-5-3-20/h1,6-8H,2-5H2,(H2,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315909
(CHEMBL1090599 | N-((2-(2-aminopyrimidin-5-yl)-4-mo...)Show SMILES CN(Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1)C(C)=O Show InChI InChI=1S/C18H21N7O2S/c1-11(26)24(2)10-13-7-14-15(28-13)17(25-3-5-27-6-4-25)23-16(22-14)12-8-20-18(19)21-9-12/h7-9H,3-6,10H2,1-2H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50315910
(5-(6-(2-aminopropan-2-yl)-4-morpholinothieno[3,2-d...)Show SMILES CC(C)(N)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C17H21N7OS/c1-17(2,19)12-7-11-13(26-12)15(24-3-5-25-6-4-24)23-14(22-11)10-8-20-16(18)21-9-10/h7-9H,3-6,19H2,1-2H3,(H2,18,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
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
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
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant mTOR assessed as reduction in GFP-4EBP1 phosphorylation after 30 mins by FRET assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315908
(CHEMBL1090598 | N-((2-(2-aminopyrimidin-5-yl)-4-mo...)Show SMILES CN(Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1)S(C)(=O)=O Show InChI InChI=1S/C17H21N7O3S2/c1-23(29(2,25)26)10-12-7-13-14(28-12)16(24-3-5-27-6-4-24)22-15(21-13)11-8-19-17(18)20-9-11/h7-9H,3-6,10H2,1-2H3,(H2,18,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315913
((3-(2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C26H28N8O2S/c1-32-5-7-34(8-6-32)25(35)18-4-2-3-17(13-18)21-14-20-22(37-21)24(33-9-11-36-12-10-33)31-23(30-20)19-15-28-26(27)29-16-19/h2-4,13-16H,5-12H2,1H3,(H2,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315914
((3-(2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin...)Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C27H30N8O2S/c1-17-21-23(25(34-10-12-37-13-11-34)32-24(31-21)20-15-29-27(28)30-16-20)38-22(17)18-4-3-5-19(14-18)26(36)35-8-6-33(2)7-9-35/h3-5,14-16H,6-13H2,1-2H3,(H2,28,29,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50312606
(5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26N8O3S2/c1-33(29,30)28-4-2-26(3-5-28)13-15-10-16-17(32-15)19(27-6-8-31-9-7-27)25-18(24-16)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
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
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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315912
(CHEMBL1091979 | N-((2-(2-aminopyrimidin-5-yl)-7-me...)Show SMILES CN(Cc1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1)C(C)=O Show InChI InChI=1S/C19H23N7O2S/c1-11-14(10-25(3)12(2)27)29-16-15(11)23-17(13-8-21-19(20)22-9-13)24-18(16)26-4-6-28-7-5-26/h8-9H,4-7,10H2,1-3H3,(H2,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315907
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315909
(CHEMBL1090599 | N-((2-(2-aminopyrimidin-5-yl)-4-mo...)Show SMILES CN(Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1)C(C)=O Show InChI InChI=1S/C18H21N7O2S/c1-11(26)24(2)10-13-7-14-15(28-13)17(25-3-5-27-6-4-25)23-16(22-14)12-8-20-18(19)21-9-12/h7-9H,3-6,10H2,1-2H3,(H2,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50304689
(5-(4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimid...)Show InChI InChI=1S/C14H14N6OS/c15-14-16-7-9(8-17-14)12-18-10-1-6-22-11(10)13(19-12)20-2-4-21-5-3-20/h1,6-8H,2-5H2,(H2,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50315907
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50315910
(5-(6-(2-aminopropan-2-yl)-4-morpholinothieno[3,2-d...)Show SMILES CC(C)(N)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1 Show InChI InChI=1S/C17H21N7OS/c1-17(2,19)12-7-11-13(26-12)15(24-3-5-25-6-4-24)23-14(22-11)10-8-20-16(18)21-9-10/h7-9H,3-6,19H2,1-2H3,(H2,18,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as reduction in 3,4,5-inositoltriphosphate accumulation after 30 mins by fluorescence polarization assay |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50315907
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kgamma |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50315907
(5-(7-methyl-6-((4-(methylsulfonyl)piperazin-1-yl)m...)Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)sc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H28N8O3S2/c1-14-16(13-27-3-5-29(6-4-27)34(2,30)31)33-18-17(14)25-19(15-11-23-21(22)24-12-15)26-20(18)28-7-9-32-10-8-28/h11-12H,3-10,13H2,1-2H3,(H2,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kbeta |
Bioorg Med Chem Lett 20: 2408-11 (2010)
Article DOI: 10.1016/j.bmcl.2010.03.046
BindingDB Entry DOI: 10.7270/Q2GM87FX |
More data for this
Ligand-Target Pair | |
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