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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50388346'   
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))		BDBM50388346
PNG
(CHEMBL2059246)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1 |r|
Show InChI InChI=1S/C51H87N3O47S10/c1-26(2)8-6-9-27(3)32-12-13-33-31-11-10-28-20-30(14-16-50(28,4)34(31)15-17-51(32,33)5)86-22-29-21-54(53-52-29)18-7-19-85-47-44(42(98-108(73,74)75)39(96-106(67,68)69)36(90-47)24-88-103(58,59)60)94-48-45(100-110(79,80)81)41(38(95-105(64,65)66)35(91-48)23-87-102(55,56)57)93-49-46(101-111(82,83)84)43(99-109(76,77)78)40(97-107(70,71)72)37(92-49)25-89-104(61,62)63/h21,26-28,30-49H,6-20,22-25H2,1-5H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)/p-10/t27-,28+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51-/m1/s1
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Similars
Article
PubMed
 8.5n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay

J Med Chem 55: 3804-13 (2012)


Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN
More data for this
Ligand-Target Pair