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BDBM50137863 4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid::CHEMBL367740::CHEMBL371719::CHEMBL492571

SMILES: OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1

InChI Key: InChIKey=SPMMLCCLNJGITG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50137863   
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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.67E+4n/an/an/an/an/an/a



Italy. Vinc

Curated by ChEMBL


Assay Description
Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B


J Med Chem 47: 14-7 (2003)


Article DOI: 10.1021/jm0342109
BindingDB Entry DOI: 10.7270/Q2736QB8
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay


Bioorg Med Chem Lett 19: 1636-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.010
BindingDB Entry DOI: 10.7270/Q2CR5T7K
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50137863
PNG
(4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of Rome La Sapienza

Curated by ChEMBL


Assay Description
Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)


J Med Chem 48: 6304-14 (2005)


Article DOI: 10.1021/jm0504454
BindingDB Entry DOI: 10.7270/Q2T43SNM
More data for this
Ligand-Target Pair