BDBM50314363 (Z)-2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)phenyl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-4-hydroxybenzofuran-3(2H)-one::CHEMBL1092120
SMILES: Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CC2CCC(C1)O2
InChI Key: InChIKey=WPNCPKGXCPBKKQ-MXAYSNPKSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50314363 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)) | BDBM50314363
((Z)-2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octane-3-ca...)Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CC2CCC(C1)O2 Show InChI InChI=1S/C30H25N3O5/c1-32-14-19(13-25-28(35)27-23(34)3-2-4-24(27)38-25)26-22(11-12-31-29(26)32)17-5-7-18(8-6-17)30(36)33-15-20-9-10-21(16-33)37-20/h2-8,11-14,20-21,34H,9-10,15-16H2,1H3/b25-13- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.560 | 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)) | BDBM50314363
((Z)-2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octane-3-ca...)Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CC2CCC(C1)O2 Show InChI InChI=1S/C30H25N3O5/c1-32-14-19(13-25-28(35)27-23(34)3-2-4-24(27)38-25)26-22(11-12-31-29(26)32)17-5-7-18(8-6-17)30(36)33-15-20-9-10-21(16-33)37-20/h2-8,11-14,20-21,34H,9-10,15-16H2,1H3/b25-13- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 57 | 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 | |