BDBM50362921 CHEMBL1945799
SMILES: NC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1
InChI Key: InChIKey=JQICHLGPNKWAQP-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50362921 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)) | BDBM50362921
(CHEMBL1945799)Show SMILES NC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H21N5O2/c20-16(25)14-8-6-13(7-9-14)15-10-21-17-18(22-15)24(19(26)23-17)11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,20,25)(H,21,23,26) | 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 | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035 BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50362921
(CHEMBL1945799)Show SMILES NC(=O)c1ccc(cc1)-c1cnc2[nH]c(=O)n(CC3CCCCC3)c2n1 Show InChI InChI=1S/C19H21N5O2/c20-16(25)14-8-6-13(7-9-14)15-10-21-17-18(22-15)24(19(26)23-17)11-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H2,20,25)(H,21,23,26) | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 21: 6793-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.035 BindingDB Entry DOI: 10.7270/Q28W3DR1 |
More data for this Ligand-Target Pair | |