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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50147547'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heparanase


(Homo sapiens (Human))
BDBM50147547
PNG
(2-(5-(5-(3-acetamidophenyl)benzo[d]oxazol-2-yl)-2-...)
Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C31H21N3O7/c1-16(35)32-21-5-3-4-17(12-21)18-7-10-26-24(14-18)33-28(41-26)19-8-11-27(40-2)25(15-19)34-29(36)22-9-6-20(31(38)39)13-23(22)30(34)37/h3-15H,1-2H3,(H,32,35)(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.91E+3n/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))
BDBM50147547
PNG
(2-(5-(5-(3-acetamidophenyl)benzo[d]oxazol-2-yl)-2-...)
Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C31H21N3O7/c1-16(35)32-21-5-3-4-17(12-21)18-7-10-26-24(14-18)33-28(41-26)19-8-11-27(40-2)25(15-19)34-29(36)22-9-6-20(31(38)39)13-23(22)30(34)37/h3-15H,1-2H3,(H,32,35)(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vivo inhibitory activity against human Heparanase


Bioorg Med Chem Lett 14: 3269-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.086
BindingDB Entry DOI: 10.7270/Q2CC1040
More data for this
Ligand-Target Pair