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BDBM50429675 CHEMBL2335376

SMILES: Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccn3)[nH]c2n1

InChI Key: InChIKey=IHMGTTHADPULSV-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 = 50429675   
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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50429675
PNG
(CHEMBL2335376)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccn3)[nH]c2n1
Show InChI InChI=1S/C19H17BrN6/c20-12-4-3-6-14(10-12)23-17-16-11-15(24-18(16)26-19(21)25-17)8-7-13-5-1-2-9-22-13/h1-6,9-11H,7-8H2,(H4,21,23,24,25,26)
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Article
PubMed
n/an/a>5.00E+4n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50429675
PNG
(CHEMBL2335376)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccn3)[nH]c2n1
Show InChI InChI=1S/C19H17BrN6/c20-12-4-3-6-14(10-12)23-17-16-11-15(24-18(16)26-19(21)25-17)8-7-13-5-1-2-9-22-13/h1-6,9-11H,7-8H2,(H4,21,23,24,25,26)
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Article
PubMed
n/an/a 300n/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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50429675
PNG
(CHEMBL2335376)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccn3)[nH]c2n1
Show InChI InChI=1S/C19H17BrN6/c20-12-4-3-6-14(10-12)23-17-16-11-15(24-18(16)26-19(21)25-17)8-7-13-5-1-2-9-22-13/h1-6,9-11H,7-8H2,(H4,21,23,24,25,26)
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Article
PubMed
n/an/a 1.34E+4n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50429675
PNG
(CHEMBL2335376)
Show SMILES Nc1nc(Nc2cccc(Br)c2)c2cc(CCc3ccccn3)[nH]c2n1
Show InChI InChI=1S/C19H17BrN6/c20-12-4-3-6-14(10-12)23-17-16-11-15(24-18(16)26-19(21)25-17)8-7-13-5-1-2-9-22-13/h1-6,9-11H,7-8H2,(H4,21,23,24,25,26)
PDB
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NCI pathway
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UniChem

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Article
PubMed
n/an/a 4.99E+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