Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50307398'   

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))	BDBM50307398 (CHEMBL603122 | Hexadecasodium [2-(benzyloxy)-3-({4...) Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[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](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([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/C37H58O74S16/c38-112(39,40)87-7-13-18(101-117(53,54)55)23(97-35-30(109-125(77,78)79)24(19(102-118(56,57)58)14(94-35)8-88-113(41,42)43)99-37-32(111-127(83,84)85)27(107-123(71,72)73)22(105-121(65,66)67)17(96-37)11-91-116(50,51)52)29(108-124(74,75)76)34(93-13)98-25-20(103-119(59,60)61)15(9-89-114(44,45)46)95-36(31(25)110-126(80,81)82)100-28-26(106-122(68,69)70)21(104-120(62,63)64)16(10-90-115(47,48)49)92-33(28)86-6-12-4-2-1-3-5-12/h1-5,13-37H,6-11H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)/p-16/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35-,36-,37-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
Progen Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant heparanase				J Med Chem 53: 1686-99 (2010) Article DOI: 10.1021/jm901449m BindingDB Entry DOI: 10.7270/Q2PG1SPH
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