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BDBM50097939 7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine::7-cyclopentyl-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine::CHEMBL168382

SMILES: COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12

InChI Key: InChIKey=JOEZGPVMIDNCJZ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50097939   
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
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
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KEGG

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PC sid
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PubMed
n/an/a 2n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
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PC sid
UniChem

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PubMed
n/an/a 460n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor (EGF-R) tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
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PubMed
n/an/a 170n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/a 170n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase activity


Bioorg Med Chem Lett 11: 849-52 (2001)


BindingDB Entry DOI: 10.7270/Q2FF3RMF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair