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BDBM8870 3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1-(3-chlorophenyl)urea::CHEMBL382979::KDR Kinase Inhibitor, 9::N-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N -(3-chlorophenyl)urea::Thienopyrimidine deriv. 96

SMILES: Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12

InChI Key: InChIKey=WALBWDUVJYSLBL-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 8870   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8870
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClN5OS/c20-12-2-1-3-14(8-12)25-19(26)24-13-6-4-11(5-7-13)15-9-27-18-16(15)17(21)22-10-23-18/h1-10H,(H2,21,22,23)(H2,24,25,26)
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PubMed
n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8870
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClN5OS/c20-12-2-1-3-14(8-12)25-19(26)24-13-6-4-11(5-7-13)15-9-27-18-16(15)17(21)22-10-23-18/h1-10H,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3.02n/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))
BDBM8870
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClN5OS/c20-12-2-1-3-14(8-12)25-19(26)24-13-6-4-11(5-7-13)15-9-27-18-16(15)17(21)22-10-23-18/h1-10H,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Shanghai Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 2126-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.089
BindingDB Entry DOI: 10.7270/Q2S1839D
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8870
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClN5OS/c20-12-2-1-3-14(8-12)25-19(26)24-13-6-4-11(5-7-13)15-9-27-18-16(15)17(21)22-10-23-18/h1-10H,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Shanghai Jiaotong University



Assay Description
Inhibition assay using KDR.


Chem Biol Drug Des 69: 204-11 (2007)


Article DOI: 10.1111/j.1747-0285.2007.00488.x
BindingDB Entry DOI: 10.7270/Q2ZG6QQH
More data for this
Ligand-Target Pair