new BindingDB logo
myBDB logout

BDBM21086 3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-nitrophenyl)urea::Aminobenzoisoxazole, 29

SMILES: Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12

InChI Key: InChIKey=SECLOTHQGDJSCB-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 = 21086   
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))
BDBM21086
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-nit...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12
Show InChI InChI=1S/C20H15N5O4/c21-19-18-16(5-2-6-17(18)29-24-19)12-7-9-13(10-8-12)22-20(26)23-14-3-1-4-15(11-14)25(27)28/h1-11H,(H2,21,24)(H2,22,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/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))
BDBM21086
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-nit...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12
Show InChI InChI=1S/C20H15N5O4/c21-19-18-16(5-2-6-17(18)29-24-19)12-7-9-13(10-8-12)22-20(26)23-14-3-1-4-15(11-14)25(27)28/h1-11H,(H2,21,24)(H2,22,23,26)
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 19n/a 17n/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))
BDBM21086
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-nit...)
Show SMILES Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)cc3)c12
Show InChI InChI=1S/C20H15N5O4/c21-19-18-16(5-2-6-17(18)29-24-19)12-7-9-13(10-8-12)22-20(26)23-14-3-1-4-15(11-14)25(27)28/h1-11H,(H2,21,24)(H2,22,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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