BindingDB logo
myBDB logout

BDBM8833 3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-(4-methoxyphenyl)urea::N-[4-(4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-phenyl]-N -(4-methoxyphenyl)urea::Thienopyrimidine deriv. 15

SMILES: COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1

InChI Key: InChIKey=ZPSQSBRNPLBDHP-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 = 8833   
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))
BDBM8833
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-3-5-14(6-4-13)25-21(27)26-15-7-9-16(28-2)10-8-15/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/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))
BDBM8833
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-3-5-14(6-4-13)25-21(27)26-15-7-9-16(28-2)10-8-15/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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))
BDBM8833
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-3-5-14(6-4-13)25-21(27)26-15-7-9-16(28-2)10-8-15/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8833
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-3-5-14(6-4-13)25-21(27)26-15-7-9-16(28-2)10-8-15/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15.1n/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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM8833
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-3-5-14(6-4-13)25-21(27)26-15-7-9-16(28-2)10-8-15/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.58E+3n/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))
BDBM8833
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-3-5-14(6-4-13)25-21(27)26-15-7-9-16(28-2)10-8-15/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69.2n/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))
BDBM8833
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)cc1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-3-5-14(6-4-13)25-21(27)26-15-7-9-16(28-2)10-8-15/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/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