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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50147522'   
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))
BDBM50147522
PNG
(2-(4-(butylamino)-3-(5-phenylbenzo[d]oxazol-2-yl)p...)
Show SMILES CCCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C32H25N3O5/c1-2-3-15-33-26-13-11-22(35-30(36)23-12-9-21(32(38)39)16-24(23)31(35)37)18-25(26)29-34-27-17-20(10-14-28(27)40-29)19-7-5-4-6-8-19/h4-14,16-18,33H,2-3,15H2,1H3,(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 398n/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))
BDBM50147522
PNG
(2-(4-(butylamino)-3-(5-phenylbenzo[d]oxazol-2-yl)p...)
Show SMILES CCCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C32H25N3O5/c1-2-3-15-33-26-13-11-22(35-30(36)23-12-9-21(32(38)39)16-24(23)31(35)37)18-25(26)29-34-27-17-20(10-14-28(27)40-29)19-7-5-4-6-8-19/h4-14,16-18,33H,2-3,15H2,1H3,(H,38,39)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 400n/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