Found 5 hits for monomerid = 50447620 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50447620
(CHEMBL3112718)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cnc2nc(N)nc(C)c2c1 Show InChI InChI=1S/C20H16F2N6O3S/c1-10-14-5-11(8-24-18(14)27-20(23)26-10)12-6-16(19(31-2)25-9-12)28-32(29,30)17-4-3-13(21)7-15(17)22/h3-9,28H,1-2H3,(H2,23,24,26,27) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
PKUCare Pharmaceutical R&D Center
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate preincubated for 15 mins before substrate addition by luciferase-based luminescen... |
Bioorg Med Chem Lett 24: 4538-41 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.073
BindingDB Entry DOI: 10.7270/Q2862J4B |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50447620
(CHEMBL3112718)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cnc2nc(N)nc(C)c2c1 Show InChI InChI=1S/C20H16F2N6O3S/c1-10-14-5-11(8-24-18(14)27-20(23)26-10)12-6-16(19(31-2)25-9-12)28-32(29,30)17-4-3-13(21)7-15(17)22/h3-9,28H,1-2H3,(H2,23,24,26,27) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
PKUCare Pharmaceutical R&D Center
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) assessed as inhibition of 4EBP-1 phosphorylation preincubated for 15 mins before substrate addition by TR-FRET as... |
Bioorg Med Chem Lett 24: 4538-41 (2014)
Article DOI: 10.1016/j.bmcl.2014.07.073
BindingDB Entry DOI: 10.7270/Q2862J4B |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50447620
(CHEMBL3112718)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cnc2nc(N)nc(C)c2c1 Show InChI InChI=1S/C20H16F2N6O3S/c1-10-14-5-11(8-24-18(14)27-20(23)26-10)12-6-16(19(31-2)25-9-12)28-32(29,30)17-4-3-13(21)7-15(17)22/h3-9,28H,1-2H3,(H2,23,24,26,27) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences and Peking Union Medical College
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h... |
Bioorg Med Chem 26: 637-646 (2018)
Article DOI: 10.1016/j.bmc.2017.12.025
BindingDB Entry DOI: 10.7270/Q2JD50FF |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50447620
(CHEMBL3112718)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cnc2nc(N)nc(C)c2c1 Show InChI InChI=1S/C20H16F2N6O3S/c1-10-14-5-11(8-24-18(14)27-20(23)26-10)12-6-16(19(31-2)25-9-12)28-32(29,30)17-4-3-13(21)7-15(17)22/h3-9,28H,1-2H3,(H2,23,24,26,27) | 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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
PKUCare Pharmaceutical R&D Center
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) using PIP2/PS as substrate compound preincubated for 15 mins by luciferase-based luminescence assay |
Bioorg Med Chem Lett 24: 790-3 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.112
BindingDB Entry DOI: 10.7270/Q2N29ZF1 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50447620
(CHEMBL3112718)Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cnc2nc(N)nc(C)c2c1 Show InChI InChI=1S/C20H16F2N6O3S/c1-10-14-5-11(8-24-18(14)27-20(23)26-10)12-6-16(19(31-2)25-9-12)28-32(29,30)17-4-3-13(21)7-15(17)22/h3-9,28H,1-2H3,(H2,23,24,26,27) | 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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
PKUCare Pharmaceutical R&D Center
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) after 40 mins by TR-FRET assay |
Bioorg Med Chem Lett 24: 790-3 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.112
BindingDB Entry DOI: 10.7270/Q2N29ZF1 |
More data for this
Ligand-Target Pair | |
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