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BDBM50271803 CHEMBL483108::N4-(3-bromo-4-fluorophenyl)-6-(2-phenylethyl)-7Hpyrrolo[2,3-d]pyrimidine-2,4-diamine::N4-(3-bromo-4-fluorophenyl)-6-phenethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

SMILES: Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1

InChI Key: InChIKey=JIKRLFBUNSLPFP-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50271803   
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))
BDBM50271803
PNG
(CHEMBL483108 | N4-(3-bromo-4-fluorophenyl)-6-(2-ph...)
Show SMILES Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50271803
PNG
(CHEMBL483108 | N4-(3-bromo-4-fluorophenyl)-6-(2-ph...)
Show SMILES Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50271803
PNG
(CHEMBL483108 | N4-(3-bromo-4-fluorophenyl)-6-(2-ph...)
Show SMILES Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27)
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n/an/a 1.98E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50271803
PNG
(CHEMBL483108 | N4-(3-bromo-4-fluorophenyl)-6-(2-ph...)
Show SMILES Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27)
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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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50271803
PNG
(CHEMBL483108 | N4-(3-bromo-4-fluorophenyl)-6-(2-ph...)
Show SMILES Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27)
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n/an/a 2.28E+4n/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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50271803
PNG
(CHEMBL483108 | N4-(3-bromo-4-fluorophenyl)-6-(2-ph...)
Show SMILES Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27)
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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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50271803
PNG
(CHEMBL483108 | N4-(3-bromo-4-fluorophenyl)-6-(2-ph...)
Show SMILES Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27)
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n/an/a 1.32E+5n/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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50271803
PNG
(CHEMBL483108 | N4-(3-bromo-4-fluorophenyl)-6-(2-ph...)
Show SMILES Nc1nc(Nc2ccc(F)c(Br)c2)c2cc(CCc3ccccc3)[nH]c2n1
Show InChI InChI=1S/C20H17BrFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H4,23,24,25,26,27)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) expressed in human tumor cells


Bioorg Med Chem 16: 5514-28 (2008)


Article DOI: 10.1016/j.bmc.2008.04.019
BindingDB Entry DOI: 10.7270/Q2GF0T9D
More data for this
Ligand-Target Pair