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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 50387407   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50387407
PNG
(CHEMBL2047253)
Show SMILES Nc1nc2cc3ccccc3c2c(Nc2ccc(Cl)cc2F)[nH]1
Show InChI InChI=1S/C17H12ClFN4/c18-10-5-6-13(12(19)8-10)21-16-15-11-4-2-1-3-9(11)7-14(15)22-17(20)23-16/h1-8,21H,(H3,20,22,23)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta in human SF539 cells pretreated for 60 mins measured after 1 hr by ELISA


Bioorg Med Chem 20: 4217-25 (2012)


Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50387407
PNG
(CHEMBL2047253)
Show SMILES Nc1nc2cc3ccccc3c2c(Nc2ccc(Cl)cc2F)[nH]1
Show InChI InChI=1S/C17H12ClFN4/c18-10-5-6-13(12(19)8-10)21-16-15-11-4-2-1-3-9(11)7-14(15)22-17(20)23-16/h1-8,21H,(H3,20,22,23)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells pretreated for 60 mins measured after 1 hr by ELISA


Bioorg Med Chem 20: 4217-25 (2012)


Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM50387407
PNG
(CHEMBL2047253)
Show SMILES Nc1nc2cc3ccccc3c2c(Nc2ccc(Cl)cc2F)[nH]1
Show InChI InChI=1S/C17H12ClFN4/c18-10-5-6-13(12(19)8-10)21-16-15-11-4-2-1-3-9(11)7-14(15)22-17(20)23-16/h1-8,21H,(H3,20,22,23)
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n/an/a>1.30E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii thymidylate synthase


Bioorg Med Chem 20: 4217-25 (2012)


Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50387407
PNG
(CHEMBL2047253)
Show SMILES Nc1nc2cc3ccccc3c2c(Nc2ccc(Cl)cc2F)[nH]1
Show InChI InChI=1S/C17H12ClFN4/c18-10-5-6-13(12(19)8-10)21-16-15-11-4-2-1-3-9(11)7-14(15)22-17(20)23-16/h1-8,21H,(H3,20,22,23)
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n/an/a>1.30E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase


Bioorg Med Chem 20: 4217-25 (2012)


Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)
BDBM50387407
PNG
(CHEMBL2047253)
Show SMILES Nc1nc2cc3ccccc3c2c(Nc2ccc(Cl)cc2F)[nH]1
Show InChI InChI=1S/C17H12ClFN4/c18-10-5-6-13(12(19)8-10)21-16-15-11-4-2-1-3-9(11)7-14(15)22-17(20)23-16/h1-8,21H,(H3,20,22,23)
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Article
PubMed
n/an/a>1.60E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii DHFR


Bioorg Med Chem 20: 4217-25 (2012)


Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50387407
PNG
(CHEMBL2047253)
Show SMILES Nc1nc2cc3ccccc3c2c(Nc2ccc(Cl)cc2F)[nH]1
Show InChI InChI=1S/C17H12ClFN4/c18-10-5-6-13(12(19)8-10)21-16-15-11-4-2-1-3-9(11)7-14(15)22-17(20)23-16/h1-8,21H,(H3,20,22,23)
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n/an/a>1.60E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human DHFR


Bioorg Med Chem 20: 4217-25 (2012)


Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50387407
PNG
(CHEMBL2047253)
Show SMILES Nc1nc2cc3ccccc3c2c(Nc2ccc(Cl)cc2F)[nH]1
Show InChI InChI=1S/C17H12ClFN4/c18-10-5-6-13(12(19)8-10)21-16-15-11-4-2-1-3-9(11)7-14(15)22-17(20)23-16/h1-8,21H,(H3,20,22,23)
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n/an/a 1.97E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in human U251 cells pretreated for 60 mins measured after 1 hr by ELISA


Bioorg Med Chem 20: 4217-25 (2012)


Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50387407
PNG
(CHEMBL2047253)
Show SMILES Nc1nc2cc3ccccc3c2c(Nc2ccc(Cl)cc2F)[nH]1
Show InChI InChI=1S/C17H12ClFN4/c18-10-5-6-13(12(19)8-10)21-16-15-11-4-2-1-3-9(11)7-14(15)22-17(20)23-16/h1-8,21H,(H3,20,22,23)
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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human DHODH


Bioorg Med Chem 20: 4217-25 (2012)


Article DOI: 10.1016/j.bmc.2012.05.068
BindingDB Entry DOI: 10.7270/Q25X29ZH
More data for this
Ligand-Target Pair