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BDBM50140723 5-(4-methoxyphenyl)-3-phenyl-(3R,3aS,6aR)-spiro[perhydrofuro[3,4-c]pyrrole-1,2'-(2',3'-dihydro-1'H-indene)]-1',3',4,6-tetraone::CHEMBL28432

SMILES: COc1ccc(cc1)-n1c(O)c2C(OC3(C(=O)c4ccccc4C3=O)c2c1O)c1ccccc1

InChI Key: InChIKey=POARSKSBXGHKQY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50140723   
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
Phenylalanyl-tRNA synthetase alpha chain


(Streptococcus pyogenes serotype M18)
BDBM50140723
PNG
(5-(4-methoxyphenyl)-3-phenyl-(3R,3aS,6aR)-spiro[pe...)
Show SMILES COc1ccc(cc1)-n1c(O)c2C(OC3(C(=O)c4ccccc4C3=O)c2c1O)c1ccccc1
Show InChI InChI=1S/C27H19NO6/c1-33-17-13-11-16(12-14-17)28-25(31)20-21(26(28)32)27(34-22(20)15-7-3-2-4-8-15)23(29)18-9-5-6-10-19(18)24(27)30/h2-14,22,31-32H,1H3
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylalanyl-tRNA synthetase from Staphylococcus aureus


Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase alpha chain


(Streptococcus pyogenes serotype M18)
BDBM50140723
PNG
(5-(4-methoxyphenyl)-3-phenyl-(3R,3aS,6aR)-spiro[pe...)
Show SMILES COc1ccc(cc1)-n1c(O)c2C(OC3(C(=O)c4ccccc4C3=O)c2c1O)c1ccccc1
Show InChI InChI=1S/C27H19NO6/c1-33-17-13-11-16(12-14-17)28-25(31)20-21(26(28)32)27(34-22(20)15-7-3-2-4-8-15)23(29)18-9-5-6-10-19(18)24(27)30/h2-14,22,31-32H,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylalanyl-tRNA synthetase from Enterococcus faecalis


Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase mitochondrial


(Homo sapiens (Human))
BDBM50140723
PNG
(5-(4-methoxyphenyl)-3-phenyl-(3R,3aS,6aR)-spiro[pe...)
Show SMILES COc1ccc(cc1)-n1c(O)c2C(OC3(C(=O)c4ccccc4C3=O)c2c1O)c1ccccc1
Show InChI InChI=1S/C27H19NO6/c1-33-17-13-11-16(12-14-17)28-25(31)20-21(26(28)32)27(34-22(20)15-7-3-2-4-8-15)23(29)18-9-5-6-10-19(18)24(27)30/h2-14,22,31-32H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Cubist Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human phenylalanyl-tRNA synthetase was determined


Bioorg Med Chem Lett 14: 1339-42 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.081
BindingDB Entry DOI: 10.7270/Q2PR7VDS
More data for this
Ligand-Target Pair