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BDBM8853 3-(4-{4-amino-6-propylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-(3-methylphenyl)urea::N-[4-(4-Amino-6-propylthieno[2,3-d]pyrimidin-5-yl)-phenyl]-N -(3-methylphenyl)urea::Thienopyrimidine deriv. 79

SMILES: CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1

InChI Key: InChIKey=MKUGRPMZUYUAIX-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 = 8853   
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))
BDBM8853
PNG
(3-(4-{4-amino-6-propylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H23N5OS/c1-3-5-18-19(20-21(24)25-13-26-22(20)30-18)15-8-10-16(11-9-15)27-23(29)28-17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H2,24,25,26)(H2,27,28,29)
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Article
PubMed
n/an/a 26n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8853
PNG
(3-(4-{4-amino-6-propylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H23N5OS/c1-3-5-18-19(20-21(24)25-13-26-22(20)30-18)15-8-10-16(11-9-15)27-23(29)28-17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H2,24,25,26)(H2,27,28,29)
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 82n/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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM8853
PNG
(3-(4-{4-amino-6-propylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H23N5OS/c1-3-5-18-19(20-21(24)25-13-26-22(20)30-18)15-8-10-16(11-9-15)27-23(29)28-17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H2,24,25,26)(H2,27,28,29)
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PubMed
n/an/a 290n/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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM8853
PNG
(3-(4-{4-amino-6-propylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H23N5OS/c1-3-5-18-19(20-21(24)25-13-26-22(20)30-18)15-8-10-16(11-9-15)27-23(29)28-17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H2,24,25,26)(H2,27,28,29)
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n/an/a 288n/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))
BDBM8853
PNG
(3-(4-{4-amino-6-propylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H23N5OS/c1-3-5-18-19(20-21(24)25-13-26-22(20)30-18)15-8-10-16(11-9-15)27-23(29)28-17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H2,24,25,26)(H2,27,28,29)
PDB
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Article
PubMed
n/an/a 26.3n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8853
PNG
(3-(4-{4-amino-6-propylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H23N5OS/c1-3-5-18-19(20-21(24)25-13-26-22(20)30-18)15-8-10-16(11-9-15)27-23(29)28-17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H2,24,25,26)(H2,27,28,29)
PDB

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antibodypedia
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UniChem

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Article
PubMed
n/an/a 81.3n/an/an/an/an/an/a



Dalian University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8853
PNG
(3-(4-{4-amino-6-propylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES CCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C23H23N5OS/c1-3-5-18-19(20-21(24)25-13-26-22(20)30-18)15-8-10-16(11-9-15)27-23(29)28-17-7-4-6-14(2)12-17/h4,6-13H,3,5H2,1-2H3,(H2,24,25,26)(H2,27,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of c-Kit by HTRF method


Eur J Med Chem 45: 393-404 (2010)


Article DOI: 10.1016/j.ejmech.2009.09.013
BindingDB Entry DOI: 10.7270/Q2RX9C6D
More data for this
Ligand-Target Pair