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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 259.2
BDBM102424
Wt: 261.7
BDBM102425

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAT2A


(Escherichia coli)
BDBM102425
PNG
(FIDAS-5 | Fluorinated N,N-Dialkylaminostilbenes 5)
Show SMILES CNc1ccc(\C=C\c2c(F)cccc2Cl)cc1
Show InChI InChI=1S/C15H13ClFN/c1-18-12-8-5-11(6-9-12)7-10-13-14(16)3-2-4-15(13)17/h2-10,18H,1H3/b10-7+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Kentucky



Assay Description
MAT2A was incubated with FIDAS agents at RT for 20 min andthen mixed with L-methionine and ATP in 0.5 mL of reaction buffer.Cold deionized water (2 m...


ACS Chem Biol 8: 796-803 (2013)


Article DOI: 10.1021/cb3005353
BindingDB Entry DOI: 10.7270/Q2W37TZV
More data for this
Ligand-Target Pair
MAT2A


(Escherichia coli)
BDBM102424
PNG
(FIDAS-3 | Fluorinated N,N-Dialkylaminostilbenes 3)
Show SMILES CN(C)c1ccc(\C=C\c2c(F)cccc2F)cc1
Show InChI InChI=1S/C16H15F2N/c1-19(2)13-9-6-12(7-10-13)8-11-14-15(17)4-3-5-16(14)18/h3-11H,1-2H3/b11-8+
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



University of Kentucky



Assay Description
MAT2A was incubated with FIDAS agents at RT for 20 min andthen mixed with L-methionine and ATP in 0.5 mL of reaction buffer.Cold deionized water (2 m...


ACS Chem Biol 8: 796-803 (2013)


Article DOI: 10.1021/cb3005353
BindingDB Entry DOI: 10.7270/Q2W37TZV
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM102424
PNG
(FIDAS-3 | Fluorinated N,N-Dialkylaminostilbenes 3)
Show SMILES CN(C)c1ccc(\C=C\c2c(F)cccc2F)cc1
Show InChI InChI=1S/C16H15F2N/c1-19(2)13-9-6-12(7-10-13)8-11-14-15(17)4-3-5-16(14)18/h3-11H,1-2H3/b11-8+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.21E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of human ERG over-expressed in HEK293 cell membrane by [3H]dofetilide binding assay


J Med Chem 57: 6083-91 (2014)


Article DOI: 10.1021/jm5004864
BindingDB Entry DOI: 10.7270/Q22R3T8G
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM102425
PNG
(FIDAS-5 | Fluorinated N,N-Dialkylaminostilbenes 5)
Show SMILES CNc1ccc(\C=C\c2c(F)cccc2Cl)cc1
Show InChI InChI=1S/C15H13ClFN/c1-18-12-8-5-11(6-9-12)7-10-13-14(16)3-2-4-15(13)17/h2-10,18H,1H3/b10-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.98E+4n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of human ERG over-expressed in HEK293 cell membrane by [3H]dofetilide binding assay


J Med Chem 57: 6083-91 (2014)


Article DOI: 10.1021/jm5004864
BindingDB Entry DOI: 10.7270/Q22R3T8G
More data for this
Ligand-Target Pair