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BDBM50187996 1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea::CHEMBL262433

SMILES: Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1

InChI Key: InChIKey=QKPLUKMJEKRAJD-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50187996   
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))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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PubMed
n/an/a 8n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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n/an/a 68n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT4


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by cellular assay


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
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KEGG

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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TIE2


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187996
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2nsc3ncnc(N)c23)c1
Show InChI InChI=1S/C19H15FN6OS/c1-10-2-7-13(20)14(8-10)25-19(27)24-12-5-3-11(4-6-12)16-15-17(21)22-9-23-18(15)28-26-16/h2-9H,1H3,(H2,21,22,23)(H2,24,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CKIT


Bioorg Med Chem Lett 16: 4326-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.057
BindingDB Entry DOI: 10.7270/Q2W958S9
More data for this
Ligand-Target Pair