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BDBM8832 3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-(3-methoxyphenyl)urea::N-[4-(4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl)-phenyl]-N -(3-methoxyphenyl)urea::Thienopyrimidine deriv. 14

SMILES: COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1

InChI Key: InChIKey=JUPMOGJCVRJIHK-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 = 8832   
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))
BDBM8832
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-6-8-14(9-7-13)25-21(27)26-15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
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Article
PubMed
n/an/a 34n/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))
BDBM8832
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-6-8-14(9-7-13)25-21(27)26-15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/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))
BDBM8832
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-6-8-14(9-7-13)25-21(27)26-15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/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))
BDBM8832
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-6-8-14(9-7-13)25-21(27)26-15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB
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NCI pathway
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Article
PubMed
n/an/a 34.7n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8832
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-6-8-14(9-7-13)25-21(27)26-15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19.1n/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))
BDBM8832
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-6-8-14(9-7-13)25-21(27)26-15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 363n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM8832
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)-c2c(C)sc3ncnc(N)c23)c1
Show InChI InChI=1S/C21H19N5O2S/c1-12-17(18-19(22)23-11-24-20(18)29-12)13-6-8-14(9-7-13)25-21(27)26-15-4-3-5-16(10-15)28-2/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 19n/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