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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for drug = Fml-s   
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
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50316126
PNG
(Bleph-10 | Bleph-30 | Blephamide | CHEMBL455 | Cet...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
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MMDB

NCI pathway
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KEGG

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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human DHFR after 2 mins


Bioorg Med Chem 18: 2849-63 (2010)


Article DOI: 10.1016/j.bmc.2010.03.019
BindingDB Entry DOI: 10.7270/Q2M61M6S
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50316126
PNG
(Bleph-10 | Bleph-30 | Blephamide | CHEMBL455 | Cet...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
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PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine DHFR after 2 mins


Bioorg Med Chem 18: 2849-63 (2010)


Article DOI: 10.1016/j.bmc.2010.03.019
BindingDB Entry DOI: 10.7270/Q2M61M6S
More data for this
Ligand-Target Pair
Serum paraoxonase/arylesterase 1


(Homo sapiens (Human))
BDBM50316126
PNG
(Bleph-10 | Bleph-30 | Blephamide | CHEMBL455 | Cet...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
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PubMed
8.60E+4n/a 1.80E+5n/an/an/an/an/an/a



Atatürk University



Assay Description
The inhibitory effects of six sulfonamide derivatives was examined against the purified enzyme hPON1 and were tested in a triplicate experiment in fi...


Chem Biol Drug Des 76: 552-8 (2010)


Article DOI: 10.1111/j.1747-0285.2010.01036.x
BindingDB Entry DOI: 10.7270/Q2Q52N3T
More data for this
Ligand-Target Pair
Multidrug and toxin extrusion protein 1


(Homo sapiens (Human))
BDBM50316126
PNG
(Bleph-10 | Bleph-30 | Blephamide | CHEMBL455 | Cet...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay


J Med Chem 56: 781-95 (2013)


Article DOI: 10.1021/jm301302s
BindingDB Entry DOI: 10.7270/Q2F76DWZ
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50316126
PNG
(Bleph-10 | Bleph-30 | Blephamide | CHEMBL455 | Cet...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)
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antibodypedia
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CHEMBL
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MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair