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BDBM50088904 (3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)phenyl)methanol::CHEMBL176815::{3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-phenyl}-methanol

SMILES: COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12

InChI Key: InChIKey=DHKJMXHLKKNTKJ-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 = 50088904   
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))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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n/an/a 50n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl


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


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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n/an/a 3.30E+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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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n/an/a>1.00E+3n/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
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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Article
n/an/a 63n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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n/an/a 800n/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


(Homo sapiens (Human))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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Article
PubMed
n/an/a 63.1n/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
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088904
PNG
((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...)
Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)
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PubMed
n/an/a 60n/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