BDBM50388103 CHEMBL2058171
SMILES: COCCNC(=O)c1cn2c(Cl)c(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1
InChI Key: InChIKey=XHUPVZYEIQWEGR-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50388103 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)) | BDBM50388103
(CHEMBL2058171)Show SMILES COCCNC(=O)c1cn2c(Cl)c(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H21ClN8O3/c1-29-5-2-21-17(28)12-10-27-14(19)13(11-8-22-18(20)23-9-11)25-15(16(27)24-12)26-3-6-30-7-4-26/h8-10H,2-7H2,1H3,(H,21,28)(H2,20,22,23) | 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 | 11.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha assessed as accumulation of ADP |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50388103
(CHEMBL2058171)Show SMILES COCCNC(=O)c1cn2c(Cl)c(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1 Show InChI InChI=1S/C18H21ClN8O3/c1-29-5-2-21-17(28)12-10-27-14(19)13(11-8-22-18(20)23-9-11)25-15(16(27)24-12)26-3-6-30-7-4-26/h8-10H,2-7H2,1H3,(H,21,28)(H2,20,22,23) | 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 | 35.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Spanish National Cancer Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha-mediated AKT phosphorylation at Ser473 in human U2OS cells by Western blot analysis |
Bioorg Med Chem Lett 22: 5208-14 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.093
BindingDB Entry DOI: 10.7270/Q24Q7W1Z |
More data for this
Ligand-Target Pair | |
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