BDBM50316292 4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidin-6-yl]aniline::CHEMBL1095625
SMILES: Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
InChI Key: InChIKey=WQGKKKXVLJUOHD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50316292 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)) | BDBM50316292
(4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-...)Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1 Show InChI InChI=1S/C27H31N7O/c28-22-8-6-21(7-9-22)25-30-26(33-14-16-35-17-15-33)24-18-29-34(27(24)31-25)23-10-12-32(13-11-23)19-20-4-2-1-3-5-20/h1-9,18,23H,10-17,19,28H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha by DELFIA assay |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828 BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50316292
(4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-...)Show SMILES Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1 Show InChI InChI=1S/C27H31N7O/c28-22-8-6-21(7-9-22)25-30-26(33-14-16-35-17-15-33)24-18-29-34(27(24)31-25)23-10-12-32(13-11-23)19-20-4-2-1-3-5-20/h1-9,18,23H,10-17,19,28H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human mTOR (1360-2549 amino acids) expressed in HEK293 cells |
J Med Chem 52: 8010-24 (2009)
Article DOI: 10.1021/jm9013828 BindingDB Entry DOI: 10.7270/Q28W3DGF |
More data for this Ligand-Target Pair | |