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BDBM50201302 1-(4-(4-amino-7-phenylthieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea::CHEMBL231511

SMILES: Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccccc2)c1

InChI Key: InChIKey=MGVHMJGTUMNGFV-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50201302   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50201302
PNG
(1-(4-(4-amino-7-phenylthieno[3,2-c]pyridin-3-yl)ph...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4OS/c1-17-6-5-9-21(14-17)31-27(32)30-20-12-10-19(11-13-20)23-16-33-25-22(15-29-26(28)24(23)25)18-7-3-2-4-8-18/h2-16H,1H3,(H2,28,29)(H2,30,31,32)
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n/an/a 3.28E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Aurora B using 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50201302
PNG
(1-(4-(4-amino-7-phenylthieno[3,2-c]pyridin-3-yl)ph...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4OS/c1-17-6-5-9-21(14-17)31-27(32)30-20-12-10-19(11-13-20)23-16-33-25-22(15-29-26(28)24(23)25)18-7-3-2-4-8-18/h2-16H,1H3,(H2,28,29)(H2,30,31,32)
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50201302
PNG
(1-(4-(4-amino-7-phenylthieno[3,2-c]pyridin-3-yl)ph...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4OS/c1-17-6-5-9-21(14-17)31-27(32)30-20-12-10-19(11-13-20)23-16-33-25-22(15-29-26(28)24(23)25)18-7-3-2-4-8-18/h2-16H,1H3,(H2,28,29)(H2,30,31,32)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells


Bioorg Med Chem Lett 22: 3208-12 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.035
BindingDB Entry DOI: 10.7270/Q2000336
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50201302
PNG
(1-(4-(4-amino-7-phenylthieno[3,2-c]pyridin-3-yl)ph...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4OS/c1-17-6-5-9-21(14-17)31-27(32)30-20-12-10-19(11-13-20)23-16-33-25-22(15-29-26(28)24(23)25)18-7-3-2-4-8-18/h2-16H,1H3,(H2,28,29)(H2,30,31,32)
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 1246-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.015
BindingDB Entry DOI: 10.7270/Q28K78RS
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50201302
PNG
(1-(4-(4-amino-7-phenylthieno[3,2-c]pyridin-3-yl)ph...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2ccccc2)c1
Show InChI InChI=1S/C27H22N4OS/c1-17-6-5-9-21(14-17)31-27(32)30-20-12-10-19(11-13-20)23-16-33-25-22(15-29-26(28)24(23)25)18-7-3-2-4-8-18/h2-16H,1H3,(H2,28,29)(H2,30,31,32)
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation in NIH3T3 cells


Bioorg Med Chem Lett 17: 1246-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.015
BindingDB Entry DOI: 10.7270/Q28K78RS
More data for this
Ligand-Target Pair