BDBM50314347 2-((4-(4-(aminomethyl)piperidin-1-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-4-hydroxybenzofuran-3(2H)-one::CHEMBL1094016
SMILES: Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CN)CC1
InChI Key: InChIKey=KEZVMOWHMQDUQX-ODLFYWEKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50314347 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)) | BDBM50314347
(2-((4-(4-(aminomethyl)piperidin-1-yl)-1-methyl-1H-...)Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CN)CC1 Show InChI InChI=1S/C23H24N4O3/c1-26-13-15(11-19-22(29)21-17(28)3-2-4-18(21)30-19)20-16(5-8-25-23(20)26)27-9-6-14(12-24)7-10-27/h2-5,8,11,13-14,28H,6-7,9-10,12,24H2,1H3/b19-11- | 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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2321-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.135 BindingDB Entry DOI: 10.7270/Q2PK0G82 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50314347
(2-((4-(4-(aminomethyl)piperidin-1-yl)-1-methyl-1H-...)Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CN)CC1 Show InChI InChI=1S/C23H24N4O3/c1-26-13-15(11-19-22(29)21-17(28)3-2-4-18(21)30-19)20-16(5-8-25-23(20)26)27-9-6-14(12-24)7-10-27/h2-5,8,11,13-14,28H,6-7,9-10,12,24H2,1H3/b19-11- | 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 | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2321-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.135 BindingDB Entry DOI: 10.7270/Q2PK0G82 |
More data for this Ligand-Target Pair | |