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BDBM50187997 1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea::CHEMBL213504

SMILES: Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12

InChI Key: InChIKey=KIXJPVWFCZCXOL-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 = 50187997   
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))
BDBM50187997
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5n/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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50187997
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)
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Article
PubMed
n/an/a<3n/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))
BDBM50187997
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 4n/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50187997
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)
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PC sid
UniChem

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Article
PubMed
n/an/a 28n/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
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50187997
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 39n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50187997
PNG
(1-(4-(4-aminoisothiazolo[5,4-d]pyrimidin-3-yl)phen...)
Show SMILES Nc1ncnc2snc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C19H13F3N6OS/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-6-4-10(5-7-12)15-14-16(23)24-9-25-17(14)30-28-15/h1-9H,(H2,23,24,25)(H2,26,27,29)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/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