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BDBM50429670 CHEMBL2335016

SMILES: CC(C)(C)C(=O)Nc1nc(Nc2ccc(F)c(Cl)c2)c2cc(CCc3ccccn3)[nH]c2n1

InChI Key: InChIKey=UXLOIBJZAGQBEP-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 = 50429670   
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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50429670
PNG
(CHEMBL2335016)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(F)c(Cl)c2)c2cc(CCc3ccccn3)[nH]c2n1
Show InChI InChI=1S/C24H24ClFN6O/c1-24(2,3)22(33)32-23-30-20-17(12-15(28-20)8-7-14-6-4-5-11-27-14)21(31-23)29-16-9-10-19(26)18(25)13-16/h4-6,9-13H,7-8H2,1-3H3,(H3,28,29,30,31,32,33)
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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-induced PDGFR beta phosphorylation in human SF539 cells overexpressing PDGFR beta pretreated for 60 mins prior to PDGF-BB addit...


Bioorg Med Chem 21: 1312-23 (2013)


Article DOI: 10.1016/j.bmc.2012.12.045
BindingDB Entry DOI: 10.7270/Q25140KN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50429670
PNG
(CHEMBL2335016)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(F)c(Cl)c2)c2cc(CCc3ccccn3)[nH]c2n1
Show InChI InChI=1S/C24H24ClFN6O/c1-24(2,3)22(33)32-23-30-20-17(12-15(28-20)8-7-14-6-4-5-11-27-14)21(31-23)29-16-9-10-19(26)18(25)13-16/h4-6,9-13H,7-8H2,1-3H3,(H3,28,29,30,31,32,33)
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UniChem

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Article
PubMed
n/an/a 1.63E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGF-induced EGFR phosphorylation in human A431 cells overexpressing EGFR pretreated for 60 mins prior to EGF addition measured after 10...


Bioorg Med Chem 21: 1312-23 (2013)


Article DOI: 10.1016/j.bmc.2012.12.045
BindingDB Entry DOI: 10.7270/Q25140KN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50429670
PNG
(CHEMBL2335016)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(F)c(Cl)c2)c2cc(CCc3ccccn3)[nH]c2n1
Show InChI InChI=1S/C24H24ClFN6O/c1-24(2,3)22(33)32-23-30-20-17(12-15(28-20)8-7-14-6-4-5-11-27-14)21(31-23)29-16-9-10-19(26)18(25)13-16/h4-6,9-13H,7-8H2,1-3H3,(H3,28,29,30,31,32,33)
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Article
PubMed
n/an/a 8.93E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR2 phosphorylation in human U251 cells overexpressing Flk-1 pretreated for 60 mins prior to VEGF addition measured aft...


Bioorg Med Chem 21: 1312-23 (2013)


Article DOI: 10.1016/j.bmc.2012.12.045
BindingDB Entry DOI: 10.7270/Q25140KN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50429670
PNG
(CHEMBL2335016)
Show SMILES CC(C)(C)C(=O)Nc1nc(Nc2ccc(F)c(Cl)c2)c2cc(CCc3ccccn3)[nH]c2n1
Show InChI InChI=1S/C24H24ClFN6O/c1-24(2,3)22(33)32-23-30-20-17(12-15(28-20)8-7-14-6-4-5-11-27-14)21(31-23)29-16-9-10-19(26)18(25)13-16/h4-6,9-13H,7-8H2,1-3H3,(H3,28,29,30,31,32,33)
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UniChem

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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced VEGFR1 phosphorylation in human A498 cells overexpressing Flt-1 pretreated for 60 mins prior to VEGF addition measured aft...


Bioorg Med Chem 21: 1312-23 (2013)


Article DOI: 10.1016/j.bmc.2012.12.045
BindingDB Entry DOI: 10.7270/Q25140KN
More data for this
Ligand-Target Pair