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BDBM21084 3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-methylphenyl)urea::Aminobenzoisoxazole, 27

SMILES: Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1

InChI Key: InChIKey=MIDUFBKQPOWGMC-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 = 21084   
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))
BDBM21084
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-met...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Show InChI InChI=1S/C21H18N4O2/c1-13-4-2-5-16(12-13)24-21(26)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)25-27-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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))
BDBM21084
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-met...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Show InChI InChI=1S/C21H18N4O2/c1-13-4-2-5-16(12-13)24-21(26)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)25-27-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
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 7n/a 5n/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))
BDBM21084
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-met...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)c1
Show InChI InChI=1S/C21H18N4O2/c1-13-4-2-5-16(12-13)24-21(26)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)20(22)25-27-18/h2-12H,1H3,(H2,22,25)(H2,23,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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