Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50388340'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Heparanase (Homo sapiens (Human))	BDBM50388340 (CHEMBL2059510) 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(nn1)[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C42H71N3O32S7/c1-22(2)7-6-8-23(3)28-11-12-29-27-10-9-24-17-26(13-15-41(24,4)30(27)14-16-42(28,29)5)67-19-25-18-45(44-43-25)39-37(76-83(61,62)63)35(74-81(55,56)57)33(31(70-39)20-68-78(46,47)48)72-40-38(77-84(64,65)66)36(75-82(58,59)60)34(73-80(52,53)54)32(71-40)21-69-79(49,50)51/h18,22-24,26-40H,6-17,19-21H2,1-5H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/p-7/t23-,24+,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
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