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BDBM50320102 1-(2-((5-methoxy-1H-indol-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(4-(4-methylpiperazine-1-carbonyl)phenyl)urea::CHEMBL1082622

SMILES: COc1ccc2[nH]cc(\C=C3\Oc4ccc(NC(=O)Nc5ccc(cc5)C(=O)N5CCN(C)CC5)cc4C3=O)c2c1

InChI Key: InChIKey=BIAXGJMYDHOWPN-RWPZCVJISA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50320102   
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))
BDBM50320102
PNG
(1-(2-((5-methoxy-1H-indol-3-yl)methylene)-3-oxo-2,...)
Show SMILES COc1ccc2[nH]cc(\C=C3\Oc4ccc(NC(=O)Nc5ccc(cc5)C(=O)N5CCN(C)CC5)cc4C3=O)c2c1
Show InChI InChI=1S/C31H29N5O5/c1-35-11-13-36(14-12-35)30(38)19-3-5-21(6-4-19)33-31(39)34-22-7-10-27-25(16-22)29(37)28(41-27)15-20-18-32-26-9-8-23(40-2)17-24(20)26/h3-10,15-18,32H,11-14H2,1-2H3,(H2,33,34,39)/b28-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 3526-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.139
BindingDB Entry DOI: 10.7270/Q2FQ9WSC
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50320102
PNG
(1-(2-((5-methoxy-1H-indol-3-yl)methylene)-3-oxo-2,...)
Show SMILES COc1ccc2[nH]cc(\C=C3\Oc4ccc(NC(=O)Nc5ccc(cc5)C(=O)N5CCN(C)CC5)cc4C3=O)c2c1
Show InChI InChI=1S/C31H29N5O5/c1-35-11-13-36(14-12-35)30(38)19-3-5-21(6-4-19)33-31(39)34-22-7-10-27-25(16-22)29(37)28(41-27)15-20-18-32-26-9-8-23(40-2)17-24(20)26/h3-10,15-18,32H,11-14H2,1-2H3,(H2,33,34,39)/b28-15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 3526-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.139
BindingDB Entry DOI: 10.7270/Q2FQ9WSC
More data for this
Ligand-Target Pair