BDBM50387593 CHEMBL2057726
SMILES: Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1
InChI Key: InChIKey=VMGMCPMGGFUNMP-UHFFFAOYSA-N
Data: 2 KI
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50387593 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 (PI3K alpha)
(Mus musculus (Mouse)) | BDBM50387593
(CHEMBL2057726)Show SMILES Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.436 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mouse PI3Kalpha |
Bioorg Med Chem Lett 22: 5098-103 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50387593
(CHEMBL2057726)Show SMILES Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 18.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human mTOR |
Bioorg Med Chem Lett 22: 5098-103 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58 |
More data for this Ligand-Target Pair | |