BindingDB logo
myBDB logout

BDBM50165627 (2-{4-[2-(3-Fluoro-4-methoxy-phenylcarbamoyl)-vinyl]-phenyl}-benzooxazol-5-yl)-acetic acid::2-(2-(4-(3-(3-fluoro-4-methoxyphenylamino)-3-oxoprop-1-enyl)phenyl)benzo[d]oxazol-5-yl)acetic acid::CHEMBL383774

SMILES: COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1F

InChI Key: InChIKey=LBSLKIUXRJBSHP-VZUCSPMQSA-N

Data: 2 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 2 hits for monomerid = 50165627   
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
Heparanase


(Homo sapiens (Human))
BDBM50165627
PNG
((2-{4-[2-(3-Fluoro-4-methoxy-phenylcarbamoyl)-viny...)
Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1F
Show InChI InChI=1S/C25H19FN2O5/c1-32-21-10-8-18(14-19(21)26)27-23(29)11-5-15-2-6-17(7-3-15)25-28-20-12-16(13-24(30)31)4-9-22(20)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 302n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165627
PNG
((2-{4-[2-(3-Fluoro-4-methoxy-phenylcarbamoyl)-viny...)
Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1F
Show InChI InChI=1S/C25H19FN2O5/c1-32-21-10-8-18(14-19(21)26)27-23(29)11-5-15-2-6-17(7-3-15)25-28-20-12-16(13-24(30)31)4-9-22(20)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-5+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.014
BindingDB Entry DOI: 10.7270/Q2BP029G
More data for this
Ligand-Target Pair