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SMILES: CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3C)cc12

InChI Key: InChIKey=WCTLSBBVUJVVIG-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 = 50326612   
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))
BDBM50326612
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylben...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-16-12-18-19(24-16)25-21(23)26-20(18)27(2)17-9-5-8-15(22)11-17/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.12E+4n/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))
BDBM50326612
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylben...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-16-12-18-19(24-16)25-21(23)26-20(18)27(2)17-9-5-8-15(22)11-17/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.48E+4n/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))
BDBM50326612
PNG
(2-Amino-4-(N-methyl-m-bromoanilino)-6-(2-methylben...)
Show SMILES CN(c1cccc(Br)c1)c1nc(N)nc2[nH]c(Cc3ccccc3C)cc12
Show InChI InChI=1S/C21H20BrN5/c1-13-6-3-4-7-14(13)10-16-12-18-19(24-16)25-21(23)26-20(18)27(2)17-9-5-8-15(22)11-17/h3-9,11-12H,10H2,1-2H3,(H3,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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