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BDBM21104 3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea::Aminobenzoisoxazole, 50

SMILES: COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12

InChI Key: InChIKey=PATGADWTCHRVOQ-UHFFFAOYSA-N

Data: 7 IC50  1 EC50

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 = 21104   
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM21104
PNG
(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
Show InChI InChI=1S/C22H17F3N4O3/c1-31-17-10-9-16(18-19(17)32-29-20(18)26)12-5-7-14(8-6-12)27-21(30)28-15-4-2-3-13(11-15)22(23,24)25/h2-11H,1H3,(H2,26,29)(H2,27,28,30)
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n/an/a 56n/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 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM21104
PNG
(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
Show InChI InChI=1S/C22H17F3N4O3/c1-31-17-10-9-16(18-19(17)32-29-20(18)26)12-5-7-14(8-6-12)27-21(30)28-15-4-2-3-13(11-15)22(23,24)25/h2-11H,1H3,(H2,26,29)(H2,27,28,30)
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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 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM21104
PNG
(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
Show InChI InChI=1S/C22H17F3N4O3/c1-31-17-10-9-16(18-19(17)32-29-20(18)26)12-5-7-14(8-6-12)27-21(30)28-15-4-2-3-13(11-15)22(23,24)25/h2-11H,1H3,(H2,26,29)(H2,27,28,30)
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n/an/a 16n/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 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM21104
PNG
(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
Show InChI InChI=1S/C22H17F3N4O3/c1-31-17-10-9-16(18-19(17)32-29-20(18)26)12-5-7-14(8-6-12)27-21(30)28-15-4-2-3-13(11-15)22(23,24)25/h2-11H,1H3,(H2,26,29)(H2,27,28,30)
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n/an/a 11n/a 31n/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 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM21104
PNG
(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
Show InChI InChI=1S/C22H17F3N4O3/c1-31-17-10-9-16(18-19(17)32-29-20(18)26)12-5-7-14(8-6-12)27-21(30)28-15-4-2-3-13(11-15)22(23,24)25/h2-11H,1H3,(H2,26,29)(H2,27,28,30)
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n/an/a 130n/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 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM21104
PNG
(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
Show InChI InChI=1S/C22H17F3N4O3/c1-31-17-10-9-16(18-19(17)32-29-20(18)26)12-5-7-14(8-6-12)27-21(30)28-15-4-2-3-13(11-15)22(23,24)25/h2-11H,1H3,(H2,26,29)(H2,27,28,30)
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PubMed
n/an/a 270n/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 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM21104
PNG
(3-[4-(3-amino-7-methoxy-1,2-benzoxazol-4-yl)phenyl...)
Show SMILES COc1ccc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)c2c(N)noc12
Show InChI InChI=1S/C22H17F3N4O3/c1-31-17-10-9-16(18-19(17)32-29-20(18)26)12-5-7-14(8-6-12)27-21(30)28-15-4-2-3-13(11-15)22(23,24)25/h2-11H,1H3,(H2,26,29)(H2,27,28,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/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 51: 1231-41 (2008)


Article DOI: 10.1021/jm701096v
BindingDB Entry DOI: 10.7270/Q2HX19Z7
More data for this
Ligand-Target Pair