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BDBM21101 3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chloro-4-methoxyphenyl)urea::Aminobenzoisoxazole, 44

SMILES: COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl

InChI Key: InChIKey=BHSOPYVVEZFHDB-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 = 21101   
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))
BDBM21101
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
Show InChI InChI=1S/C21H17ClN4O3/c1-28-17-10-9-14(11-16(17)22)25-21(27)24-13-7-5-12(6-8-13)15-3-2-4-18-19(15)20(23)26-29-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/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))
BDBM21101
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
Show InChI InChI=1S/C21H17ClN4O3/c1-28-17-10-9-14(11-16(17)22)25-21(27)24-13-7-5-12(6-8-13)15-3-2-4-18-19(15)20(23)26-29-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
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 8n/a 36n/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
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM21101
PNG
(3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-chl...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1Cl
Show InChI InChI=1S/C21H17ClN4O3/c1-28-17-10-9-14(11-16(17)22)25-21(27)24-13-7-5-12(6-8-13)15-3-2-4-18-19(15)20(23)26-29-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/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