Found 28 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)) | BDBM50328085
(6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| >1.00E+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 mTOR |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328080
(3-(6-(1H-indazol-4-yl)-1-methyl-1H-pyrazolo[3,4-d]...)Show SMILES Cn1ncc2c(NCC(C)(C)CO)nc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C18H21N7O/c1-18(2,10-26)9-19-15-13-8-21-25(3)17(13)23-16(22-15)11-5-4-6-14-12(11)7-20-24-14/h4-8,26H,9-10H2,1-3H3,(H,20,24)(H,19,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328076
(6-(1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methyl-1...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)-c2cccc3[nH]ncc23)c1 Show InChI InChI=1S/C20H17N7O/c1-27-20-16(11-22-27)19(23-12-5-3-6-13(9-12)28-2)24-18(25-20)14-7-4-8-17-15(14)10-21-26-17/h3-11H,1-2H3,(H,21,26)(H,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
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328082
(6-(1H-indazol-4-yl)-1-methyl-N-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(Nc3ccc(cc3)S(C)(=O)=O)nc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C20H17N7O2S/c1-27-20-16(11-22-27)19(23-12-6-8-13(9-7-12)30(2,28)29)24-18(25-20)14-4-3-5-17-15(14)10-21-26-17/h3-11H,1-2H3,(H,21,26)(H,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
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328079
(6-(1H-indazol-4-yl)-1-methyl-N-(3-(methylsulfonyl)...)Show SMILES Cn1ncc2c(NCCCS(C)(=O)=O)nc(nc12)-c1cccc2n[nH]cc12 Show InChI InChI=1S/C17H19N7O2S/c1-24-17-13(10-20-24)15(18-7-4-8-27(2,25)26)21-16(22-17)11-5-3-6-14-12(11)9-19-23-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,19,23)(H,18,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328078
(CHEMBL1257304 | N-(3-methoxyphenyl)-1-methyl-6-(3-...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)-c2cccc3onc(C)c23)c1 Show InChI InChI=1S/C21H18N6O2/c1-12-18-15(8-5-9-17(18)29-26-12)19-24-20(16-11-22-27(2)21(16)25-19)23-13-6-4-7-14(10-13)28-3/h4-11H,1-3H3,(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328083
(6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)nc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C20H16N6O3S/c1-26-19-16(11-22-26)20(29-12-6-8-13(9-7-12)30(2,27)28)24-18(23-19)14-4-3-5-17-15(14)10-21-25-17/h3-11H,1-2H3,(H,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| 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 |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328084
(6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(nc(nc12)-c1cccc2[nH]ncc12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H16N6O2S/c1-26-20-16(11-22-26)18(12-6-8-13(9-7-12)29(2,27)28)23-19(24-20)14-4-3-5-17-15(14)10-21-25-17/h3-11H,1-2H3,(H,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328085
(6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50328085
(6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 8 | 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: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328081
(6-(1H-indazol-4-yl)-1-methyl-N-(1-methylpiperidin-...)Show SMILES CN1CCC(CC1)Nc1nc(nc2n(C)ncc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C19H22N8/c1-26-8-6-12(7-9-26)22-18-15-11-21-27(2)19(15)24-17(23-18)13-4-3-5-16-14(13)10-20-25-16/h3-5,10-12H,6-9H2,1-2H3,(H,20,25)(H,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
| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50328085
(6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 11 | 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: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328077
(6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)-c2cccc3[nH]nc(N)c23)c1 Show InChI InChI=1S/C20H18N8O/c1-28-20-14(10-22-28)19(23-11-5-3-6-12(9-11)29-2)24-18(25-20)13-7-4-8-15-16(13)17(21)27-26-15/h3-10H,1-2H3,(H3,21,26,27)(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328075
(6-(2-aminopyrimidin-5-yl)-N-(3-methoxyphenyl)-1-me...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)-c2cnc(N)nc2)c1 Show InChI InChI=1S/C17H16N8O/c1-25-16-13(9-21-25)15(22-11-4-3-5-12(6-11)26-2)23-14(24-16)10-7-19-17(18)20-8-10/h3-9H,1-2H3,(H2,18,19,20)(H,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
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328074
(CHEMBL1258919 | N-(3-methoxyphenyl)-1-methyl-6-(py...)Show InChI InChI=1S/C18H16N6O/c1-24-18-15(11-20-24)17(21-13-6-3-7-14(9-13)25-2)22-16(23-18)12-5-4-8-19-10-12/h3-11H,1-2H3,(H,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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50328085
(6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 31 | 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: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328070
(CHEMBL1255605 | N-(3-methoxyphenyl)-1-methyl-6-(3-...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)-c2cccc(c2)S(C)(=O)=O)c1 Show InChI InChI=1S/C20H19N5O3S/c1-25-20-17(12-21-25)19(22-14-7-5-8-15(11-14)28-2)23-18(24-20)13-6-4-9-16(10-13)29(3,26)27/h4-12H,1-3H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328071
(3-(4-(3-methoxyphenylamino)-1-methyl-1H-pyrazolo[3...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)-c2cccc(c2)C(N)=O)c1 Show InChI InChI=1S/C20H18N6O2/c1-26-20-16(11-22-26)19(23-14-7-4-8-15(10-14)28-2)24-18(25-20)13-6-3-5-12(9-13)17(21)27/h3-11H,1-2H3,(H2,21,27)(H,23,24,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328067
(6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphen...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CCS(=O)(=O)CC2)c1 Show InChI InChI=1S/C17H20N6O3S/c1-22-16-14(11-18-22)15(19-12-4-3-5-13(10-12)26-2)20-17(21-16)23-6-8-27(24,25)9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328069
(CHEMBL1258578 | N,6-bis(3-methoxyphenyl)-1-methyl-...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)-c2cccc(OC)c2)c1 Show InChI InChI=1S/C20H19N5O2/c1-25-20-17(12-21-25)19(22-14-7-5-9-16(11-14)27-3)23-18(24-20)13-6-4-8-15(10-13)26-2/h4-12H,1-3H3,(H,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328064
(CHEMBL1258354 | ETP-7382 | N-(3-methoxyphenyl)-1-m...)Show InChI InChI=1S/C17H20N6O2/c1-22-16-14(11-18-22)15(19-12-4-3-5-13(10-12)24-2)20-17(21-16)23-6-8-25-9-7-23/h3-5,10-11H,6-9H2,1-2H3,(H,19,20,21) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328085
(6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 187 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human PC3 cells assessed as phosphorylated Akt level |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328068
(CHEMBL1258577 | N-(3-methoxyphenyl)-1-methyl-6-(pi...)Show InChI InChI=1S/C18H22N6O/c1-23-17-15(12-19-23)16(20-13-7-6-8-14(11-13)25-2)21-18(22-17)24-9-4-3-5-10-24/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 359 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328066
(6-(2,6-dimethylmorpholino)-N-(3-methoxyphenyl)-1-m...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)N2CC(C)OC(C)C2)c1 Show InChI InChI=1S/C19H24N6O2/c1-12-10-25(11-13(2)27-12)19-22-17(16-9-20-24(3)18(16)23-19)21-14-6-5-7-15(8-14)26-4/h5-9,12-13H,10-11H2,1-4H3,(H,21,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328073
(CHEMBL1258805 | N-(3-(4-(3-methoxyphenylamino)-1-m...)Show SMILES COc1cccc(Nc2nc(nc3n(C)ncc23)-c2cccc(NC(C)=O)c2)c1 Show InChI InChI=1S/C21H20N6O2/c1-13(28)23-15-7-4-6-14(10-15)19-25-20(18-12-22-27(2)21(18)26-19)24-16-8-5-9-17(11-16)29-3/h4-12H,1-3H3,(H,23,28)(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 386 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328065
(1-(4-(3-methoxyphenylamino)-1-methyl-1H-pyrazolo[3...)Show InChI InChI=1S/C18H22N6O2/c1-23-17-15(11-19-23)16(20-12-4-3-5-14(10-12)26-2)21-18(22-17)24-8-6-13(25)7-9-24/h3-5,10-11,13,25H,6-9H2,1-2H3,(H,20,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50328085
(6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)...)Show SMILES Cn1ncc2c(Oc3ccc(cc3)S(C)(=O)=O)cc(nc12)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H17N5O3S/c1-26-21-17(12-23-26)20(29-13-6-8-14(9-7-13)30(2,27)28)10-19(24-21)15-4-3-5-18-16(15)11-22-25-18/h3-12H,1-2H3,(H,22,25) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50328072
(3-(4-(3-methoxyphenylamino)-1-methyl-1H-pyrazolo[3...)Show SMILES CNC(=O)c1cccc(c1)-c1nc(Nc2cccc(OC)c2)c2cnn(C)c2n1 Show InChI InChI=1S/C21H20N6O2/c1-22-21(28)14-7-4-6-13(10-14)18-25-19(17-12-23-27(2)20(17)26-18)24-15-8-5-9-16(11-15)29-3/h4-12H,1-3H3,(H,22,28)(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 6048-51 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.067
BindingDB Entry DOI: 10.7270/Q2ST7Q28 |
More data for this
Ligand-Target Pair | |
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