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3 similar compounds to monomer 50137863

Compile data set for download or QSAR
Wt: 311.2
BDBM50115574
Wt: 331.7
BDBM50258183
Wt: 387.4
BDBM50341992

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50115574,50258183,50341992   
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)
BDBM50115574
PNG
(4-(3-Benzoylamino-phenyl)-2-hydroxy-4-oxo-but-2-en...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C17H13NO5/c19-14(10-15(20)17(22)23)12-7-4-8-13(9-12)18-16(21)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H,22,23)
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115574
PNG
(4-(3-Benzoylamino-phenyl)-2-hydroxy-4-oxo-but-2-en...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C17H13NO5/c19-14(10-15(20)17(22)23)12-7-4-8-13(9-12)18-16(21)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H,22,23)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Strand transfer inhibitory activity against HIV-1 integrase


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258183
PNG
(4-(3-(4-chlorobenzylamino)phenyl)-2-hydroxy-4-oxob...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H14ClNO4/c18-13-6-4-11(5-7-13)10-19-14-3-1-2-12(8-14)15(20)9-16(21)17(22)23/h1-8,19H,9-10H2,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115574
PNG
(4-(3-Benzoylamino-phenyl)-2-hydroxy-4-oxo-but-2-en...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C17H13NO5/c19-14(10-15(20)17(22)23)12-7-4-8-13(9-12)18-16(21)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H,22,23)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

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



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on 3'-processing(3'-P) of proviral DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50341992
PNG
(4-(3-(dibenzylamino)phenyl)-2,4-dioxobutanoic acid...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(c1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H21NO4/c26-22(15-23(27)24(28)29)20-12-7-13-21(14-20)25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,15-17H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50115574
PNG
(4-(3-Benzoylamino-phenyl)-2-hydroxy-4-oxo-but-2-en...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C17H13NO5/c19-14(10-15(20)17(22)23)12-7-4-8-13(9-12)18-16(21)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,21)(H,22,23)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



National Cancer Institute/NIH

Curated by ChEMBL


Assay Description
Inhibitory effect on strand transfer of proviral DNA into host DNA in an extracellular HIV-1 integrase assay


J Med Chem 45: 3184-94 (2002)


Article DOI: 10.1021/jm020037p
BindingDB Entry DOI: 10.7270/Q26D5TPD
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50258183
PNG
(4-(3-(4-chlorobenzylamino)phenyl)-2-hydroxy-4-oxob...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H14ClNO4/c18-13-6-4-11(5-7-13)10-19-14-3-1-2-12(8-14)15(20)9-16(21)17(22)23/h1-8,19H,9-10H2,(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.10E+4n/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