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BDBM21082 3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[2-(trifluoromethoxy)phenyl]urea::Aminobenzoisoxazole, 25

SMILES: Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)c12

InChI Key: InChIKey=HANPZZPJLVHAHR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 21082   
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))
BDBM21082
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[2-(tr...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H15F3N4O3/c22-21(23,24)30-16-6-2-1-5-15(16)27-20(29)26-13-10-8-12(9-11-13)14-4-3-7-17-18(14)19(25)28-31-17/h1-11H,(H2,25,28)(H2,26,27,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 166n/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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM21082
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[2-(tr...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H15F3N4O3/c22-21(23,24)30-16-6-2-1-5-15(16)27-20(29)26-13-10-8-12(9-11-13)14-4-3-7-17-18(14)19(25)28-31-17/h1-11H,(H2,25,28)(H2,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 806n/a 1.00E+3n/an/a7.522



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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21082
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-[2-(tr...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4OC(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H15F3N4O3/c22-21(23,24)30-16-6-2-1-5-15(16)27-20(29)26-13-10-8-12(9-11-13)14-4-3-7-17-18(14)19(25)28-31-17/h1-11H,(H2,25,28)(H2,26,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/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