BDBM50396298 CHEMBL2172489
SMILES: Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cnn(c1)C1CC1
InChI Key: InChIKey=XODHFMOZHXRSNF-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50396298 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 |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50396298
(CHEMBL2172489)Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C20H19N11/c1-11-24-18(28-20(21)25-11)17-19(26-15-6-7-22-29-15)27-16-5-2-12(9-30(16)17)13-8-23-31(10-13)14-3-4-14/h2,5-10,14H,3-4H2,1H3,(H2,22,26,29)(H2,21,24,25,28) | 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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR by LanthaScreen assay |
Bioorg Med Chem Lett 22: 4967-74 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.033 BindingDB Entry DOI: 10.7270/Q2BK1DHN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50396298
(CHEMBL2172489)Show SMILES Cc1nc(N)nc(n1)-c1c(Nc2ccn[nH]2)nc2ccc(cn12)-c1cnn(c1)C1CC1 Show InChI InChI=1S/C20H19N11/c1-11-24-18(28-20(21)25-11)17-19(26-15-6-7-22-29-15)27-16-5-2-12(9-30(16)17)13-8-23-31(10-13)14-3-4-14/h2,5-10,14H,3-4H2,1H3,(H2,22,26,29)(H2,21,24,25,28) | 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 | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha by AlphaScreen assay |
Bioorg Med Chem Lett 22: 4967-74 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.033 BindingDB Entry DOI: 10.7270/Q2BK1DHN |
More data for this Ligand-Target Pair | |