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BDBM50318185 CHEMBL1094782::N-(3-bromophenyl)-6-(2,5-dimethoxybenzyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

SMILES: COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2)c1

InChI Key: InChIKey=IXGXJNXPVJEGDV-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 = 50318185   
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 2


(Homo sapiens (Human))
BDBM50318185
PNG
(CHEMBL1094782 | N-(3-bromophenyl)-6-(2,5-dimethoxy...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2)c1
Show InChI InChI=1S/C21H19BrN4O2/c1-27-17-6-7-19(28-2)13(9-17)8-16-11-18-20(23-12-24-21(18)26-16)25-15-5-3-4-14(22)10-15/h3-7,9-12H,8H2,1-2H3,(H2,23,24,25,26)
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Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 phosphorylation in human U251 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50318185
PNG
(CHEMBL1094782 | N-(3-bromophenyl)-6-(2,5-dimethoxy...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2)c1
Show InChI InChI=1S/C21H19BrN4O2/c1-27-17-6-7-19(28-2)13(9-17)8-16-11-18-20(23-12-24-21(18)26-16)25-15-5-3-4-14(22)10-15/h3-7,9-12H,8H2,1-2H3,(H2,23,24,25,26)
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Article
PubMed
n/an/a 1.71E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human SF539 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50318185
PNG
(CHEMBL1094782 | N-(3-bromophenyl)-6-(2,5-dimethoxy...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2)c1
Show InChI InChI=1S/C21H19BrN4O2/c1-27-17-6-7-19(28-2)13(9-17)8-16-11-18-20(23-12-24-21(18)26-16)25-15-5-3-4-14(22)10-15/h3-7,9-12H,8H2,1-2H3,(H2,23,24,25,26)
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PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 phosphorylation in human A498 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50318185
PNG
(CHEMBL1094782 | N-(3-bromophenyl)-6-(2,5-dimethoxy...)
Show SMILES COc1ccc(OC)c(Cc2cc3c(Nc4cccc(Br)c4)ncnc3[nH]2)c1
Show InChI InChI=1S/C21H19BrN4O2/c1-27-17-6-7-19(28-2)13(9-17)8-16-11-18-20(23-12-24-21(18)26-16)25-15-5-3-4-14(22)10-15/h3-7,9-12H,8H2,1-2H3,(H2,23,24,25,26)
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KEGG

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UniChem

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Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR phosphorylation in human A431 cells after 10 mins by FLISA


Bioorg Med Chem 18: 3575-87 (2010)


Article DOI: 10.1016/j.bmc.2010.03.052
BindingDB Entry DOI: 10.7270/Q2V69JRB
More data for this
Ligand-Target Pair