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BDBM50314354 4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene)benzofuran-3(2H)-one::CHEMBL1091070

SMILES: Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12

InChI Key: InChIKey=IBKQDXXHRSSNHV-SOFYXZRVSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50314354   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
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PC cid
PC sid
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
PDB
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PC sid
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Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 800n/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))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
PDB
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Article
PubMed
n/an/a 1.11E+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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
PDB
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NCI pathway
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.95E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair