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BDBM50318164 6-(2-Phenylethyl)-N-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine::CHEMBL1097743

SMILES: FC(F)(F)c1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1

InChI Key: InChIKey=PJUIFTJNPUTTFQ-UHFFFAOYSA-N

Data: 4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50318164   
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))
BDBM50318164
PNG
(6-(2-Phenylethyl)-N-[3-(trifluoromethyl)phenyl]-7H...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1
Show InChI InChI=1S/C21H17F3N4/c22-21(23,24)15-7-4-8-16(11-15)27-19-18-12-17(28-20(18)26-13-25-19)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H2,25,26,27,28)
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PC cid
PC sid
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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


Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50318164
PNG
(6-(2-Phenylethyl)-N-[3-(trifluoromethyl)phenyl]-7H...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1
Show InChI InChI=1S/C21H17F3N4/c22-21(23,24)15-7-4-8-16(11-15)27-19-18-12-17(28-20(18)26-13-25-19)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H2,25,26,27,28)
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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 PDGFRbeta


Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50318164
PNG
(6-(2-Phenylethyl)-N-[3-(trifluoromethyl)phenyl]-7H...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1
Show InChI InChI=1S/C21H17F3N4/c22-21(23,24)15-7-4-8-16(11-15)27-19-18-12-17(28-20(18)26-13-25-19)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H2,25,26,27,28)
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Article
PubMed
n/an/a 2.21E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50318164
PNG
(6-(2-Phenylethyl)-N-[3-(trifluoromethyl)phenyl]-7H...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3[nH]c(CCc4ccccc4)cc23)c1
Show InChI InChI=1S/C21H17F3N4/c22-21(23,24)15-7-4-8-16(11-15)27-19-18-12-17(28-20(18)26-13-25-19)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H2,25,26,27,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
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 VEGFR1


Bioorg Med Chem Lett 20: 3177-81 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.064
BindingDB Entry DOI: 10.7270/Q23R0T2Z
More data for this
Ligand-Target Pair