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BDBM5814 3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenyl}-1-phenylurea::furo[2,3-d]pyrimidine deriv. 7j

SMILES: COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1

InChI Key: InChIKey=KOXXIOJJABCMDV-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 5814   
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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM5814
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-13-9-17(10-14-20)23-21(22-24(27)28-15-29-25(22)34-23)16-7-11-19(12-8-16)31-26(32)30-18-5-3-2-4-6-18/h2-15H,1H3,(H2,27,28,29)(H2,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM5814
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-13-9-17(10-14-20)23-21(22-24(27)28-15-29-25(22)34-23)16-7-11-19(12-8-16)31-26(32)30-18-5-3-2-4-6-18/h2-15H,1H3,(H2,27,28,29)(H2,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28.2n/an/an/an/an/an/a



Dalian University

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Mol Graph Model 26: 236-45 (2007)


Article DOI: 10.1016/j.jmgm.2006.12.001
BindingDB Entry DOI: 10.7270/Q2GQ7019
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5814
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-13-9-17(10-14-20)23-21(22-24(27)28-15-29-25(22)34-23)16-7-11-19(12-8-16)31-26(32)30-18-5-3-2-4-6-18/h2-15H,1H3,(H2,27,28,29)(H2,30,31,32)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61.7n/an/an/an/an/an/a



Dalian University

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Mol Graph Model 26: 236-45 (2007)


Article DOI: 10.1016/j.jmgm.2006.12.001
BindingDB Entry DOI: 10.7270/Q2GQ7019
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5814
PNG
(3-{4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimi...)
Show SMILES COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C26H21N5O3/c1-33-20-13-9-17(10-14-20)23-21(22-24(27)28-15-29-25(22)34-23)16-7-11-19(12-8-16)31-26(32)30-18-5-3-2-4-6-18/h2-15H,1H3,(H2,27,28,29)(H2,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


Bioorg Med Chem Lett 15: 2203-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.034
BindingDB Entry DOI: 10.7270/Q2QC01P9
More data for this
Ligand-Target Pair