Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50307393'   

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))	BDBM50307393 (3-(4-Phenyl[1,2,3]triazol-1-yl)propyl 2,3,4,6-Tetr...) Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCn2cc(nn2)-c2ccccc2)[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](OS([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/C35H53N3O60S13/c39-99(40,41)79-10-16-20(90-103(51,52)53)24(88-35-31(98-111(75,76)77)27(95-108(66,67)68)23(93-106(60,61)62)19(86-35)13-82-102(48,49)50)29(96-109(69,70)71)33(84-16)87-25-21(91-104(54,55)56)17(11-80-100(42,43)44)85-34(30(25)97-110(72,73)74)89-28-26(94-107(63,64)65)22(92-105(57,58)59)18(12-81-101(45,46)47)83-32(28)78-8-4-7-38-9-15(36-37-38)14-5-2-1-3-6-14/h1-3,5-6,9,16-35H,4,7-8,10-13H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)/p-13/t16-,17-,18-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-/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	610	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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