BDBM50314368 4-hydroxy-2-((4-(4-(4-(2-hydroxyethyl)piperazine-1-carbonyl)piperidin-1-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)benzofuran-3(2H)-one::CHEMBL1093754
SMILES: Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCN(CCO)CC1
InChI Key: InChIKey=LRWLSMIVBWZTPN-ULJHMMPZSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50314368 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)) | BDBM50314368
(4-hydroxy-2-((4-(4-(4-(2-hydroxyethyl)piperazine-1...)Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H33N5O5/c1-31-18-20(17-24-27(37)26-22(36)3-2-4-23(26)39-24)25-21(5-8-30-28(25)31)33-9-6-19(7-10-33)29(38)34-13-11-32(12-14-34)15-16-35/h2-5,8,17-19,35-36H,6-7,9-16H2,1H3/b24-17- | 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 | 1.90 | 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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50314368
(4-hydroxy-2-((4-(4-(4-(2-hydroxyethyl)piperazine-1...)Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H33N5O5/c1-31-18-20(17-24-27(37)26-22(36)3-2-4-23(26)39-24)25-21(5-8-30-28(25)31)33-9-6-19(7-10-33)29(38)34-13-11-32(12-14-34)15-16-35/h2-5,8,17-19,35-36H,6-7,9-16H2,1H3/b24-17- | 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 | 25 | 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 | |