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BDBM50088909 (4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)methanol::CHEMBL367442::[4-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-phenyl]-methanol

SMILES: Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1

InChI Key: InChIKey=QEKCMFKWDZHOOD-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50088909   
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
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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PubMed
n/an/a 70n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of EGF-receptor tyrosine kinase in intact cells


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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n/an/a 700n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of EGF-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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Article
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of c-Src kinase (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0308-3
BindingDB Entry DOI: 10.7270/Q2BZ68ZH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of serine/threonine kinase Cdc2


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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Article
PubMed
n/an/a 19.9n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
PDB
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PubMed
n/an/a 600n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of KDR-receptor tyrosine kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair