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BDBM50314355 4,6-dihydroxy-2-((1-methyl-4-phenyl-1H-indol-3-yl)methylene)benzofuran-3(2H)-one::CHEMBL1091071

SMILES: Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2c(cccc12)-c1ccccc1

InChI Key: InChIKey=YBGVHKWNMWSUMT-FBHDLOMBSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314355   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314355
PNG
(4,6-dihydroxy-2-((1-methyl-4-phenyl-1H-indol-3-yl)...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C24H17NO4/c1-25-13-15(10-21-24(28)23-19(27)11-16(26)12-20(23)29-21)22-17(8-5-9-18(22)25)14-6-3-2-4-7-14/h2-13,26-27H,1H3/b21-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/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))
BDBM50314355
PNG
(4,6-dihydroxy-2-((1-methyl-4-phenyl-1H-indol-3-yl)...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C24H17NO4/c1-25-13-15(10-21-24(28)23-19(27)11-16(26)12-20(23)29-21)22-17(8-5-9-18(22)25)14-6-3-2-4-7-14/h2-13,26-27H,1H3/b21-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.48E+3n/an/an/an/an/an/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