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BDBM21074 (2E)-N-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide::Aminobenzoisoxazole, 11

SMILES: Nc1noc2cccc(-c3ccc(NC(=O)\C=C\c4cccc(c4)C(F)(F)F)cc3)c12

InChI Key: InChIKey=PYKWUFWGJLDSGF-KPKJPENVSA-N

Data: 3 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 3 hits for monomerid = 21074   
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))
BDBM21074
PNG
((2E)-N-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-[...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)\C=C\c4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C23H16F3N3O2/c24-23(25,26)16-4-1-3-14(13-16)7-12-20(30)28-17-10-8-15(9-11-17)18-5-2-6-19-21(18)22(27)29-31-19/h1-13H,(H2,27,29)(H,28,30)/b12-7+
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.25E+4n/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))
BDBM21074
PNG
((2E)-N-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-[...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)\C=C\c4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C23H16F3N3O2/c24-23(25,26)16-4-1-3-14(13-16)7-12-20(30)28-17-10-8-15(9-11-17)18-5-2-6-19-21(18)22(27)29-31-19/h1-13H,(H2,27,29)(H,28,30)/b12-7+
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.25E+4n/an/an/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))
BDBM21074
PNG
((2E)-N-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-3-[...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)\C=C\c4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C23H16F3N3O2/c24-23(25,26)16-4-1-3-14(13-16)7-12-20(30)28-17-10-8-15(9-11-17)18-5-2-6-19-21(18)22(27)29-31-19/h1-13H,(H2,27,29)(H,28,30)/b12-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/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