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SMILES: Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc12

InChI Key: InChIKey=KCVASMRHHADGSC-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50326610   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50326610
PNG
(2-Amino-4-(m-bromoanilino)-6-benzyl-7-methyl-pyrro...)
Show SMILES Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc12
Show InChI InChI=1S/C20H18BrN5/c1-26-16(10-13-6-3-2-4-7-13)12-17-18(24-20(22)25-19(17)26)23-15-9-5-8-14(21)11-15/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
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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 EGFR expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
BindingDB Entry DOI: 10.7270/Q29Z95W6
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50326610
PNG
(2-Amino-4-(m-bromoanilino)-6-benzyl-7-methyl-pyrro...)
Show SMILES Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc12
Show InChI InChI=1S/C20H18BrN5/c1-26-16(10-13-6-3-2-4-7-13)12-17-18(24-20(22)25-19(17)26)23-15-9-5-8-14(21)11-15/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
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Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
BindingDB Entry DOI: 10.7270/Q29Z95W6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50326610
PNG
(2-Amino-4-(m-bromoanilino)-6-benzyl-7-methyl-pyrro...)
Show SMILES Cn1c(Cc2ccccc2)cc2c(Nc3cccc(Br)c3)nc(N)nc12
Show InChI InChI=1S/C20H18BrN5/c1-26-16(10-13-6-3-2-4-7-13)12-17-18(24-20(22)25-19(17)26)23-15-9-5-8-14(21)11-15/h2-9,11-12H,10H2,1H3,(H3,22,23,24,25)
PDB
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NCI pathway
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KEGG

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PC sid
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 VEGFR2 expressed in human A431 cells


Bioorg Med Chem 18: 5261-73 (2010)


Article DOI: 10.1016/j.bmc.2010.05.049
BindingDB Entry DOI: 10.7270/Q29Z95W6
More data for this
Ligand-Target Pair