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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50165642'   
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))
BDBM50165642
PNG
((4-{5-[2-Chloro-4-(3-phenyl-acryloylamino)-phenyl]...)
Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccccc2)cc1Cl
Show InChI InChI=1S/C24H17ClN2O4S/c25-18-12-16(26-22(28)11-6-15-4-2-1-3-5-15)7-8-17(18)20-9-10-21(31-20)19-14-32-23(27-19)13-24(29)30/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-6+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 447n/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))
BDBM50165642
PNG
((4-{5-[2-Chloro-4-(3-phenyl-acryloylamino)-phenyl]...)
Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccccc2)cc1Cl
Show InChI InChI=1S/C24H17ClN2O4S/c25-18-12-16(26-22(28)11-6-15-4-2-1-3-5-15)7-8-17(18)20-9-10-21(31-20)19-14-32-23(27-19)13-24(29)30/h1-12,14H,13H2,(H,26,28)(H,29,30)/b11-6+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/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