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BDBM50148692 CHEMBL120185::Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine

SMILES: CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1

InChI Key: InChIKey=BARFMAOTOPEJFY-UHFFFAOYSA-N

Data: 19 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 19 hits for monomerid = 50148692   
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))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human Epidermal growth factor receptor, HER-1


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human c-Abl


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>8.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human prostaglandin G/H synthase 1, COX-1


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human c-Src


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 2D6


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of murine phosphorylated His-Mitogen-activated protein kinase p38 alpha.


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human insulin-like growth factor I receptor


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human RAF proto-oncogene serine/threonine-protein kinase


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human vascular endothelial growth factor receptor 2


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human c-Jun N-terminal kinase 2


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human c-Kit kinase


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 2C9


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 1A2


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human epidermal growth factor receptor


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cytochrome P450 3A4


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human cyclin-dependent kinase 1


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human c-Jun N-terminal kinase 1


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human Met proto-oncogene tyrosine kinase


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (Human))
BDBM50148692
PNG
(CHEMBL120185 | Cyclopentyl-{4-[2-(4-fluoro-phenyl)...)
Show SMILES CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
Show InChI InChI=1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-28-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human HER-2


Bioorg Med Chem Lett 14: 3595-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.106
BindingDB Entry DOI: 10.7270/Q2V69J2C
More data for this
Ligand-Target Pair