Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50307402'   

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))	BDBM50307402 (4-Butylbenzyl 2,3,4,6-Tetra-O-sulfo-alpha-D-mannop...) Show SMILES CCCCc1ccc(CO[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](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)cc1 |r| Show InChI InChI=1S/C35H56O60S13/c1-2-3-4-14-5-7-15(8-6-14)9-75-32-28(26(91-104(60,61)62)22(89-102(54,55)56)18(80-32)12-78-98(42,43)44)86-34-30(94-107(69,70)71)25(21(88-101(51,52)53)17(82-34)11-77-97(39,40)41)84-33-29(93-106(66,67)68)24(20(87-100(48,49)50)16(81-33)10-76-96(36,37)38)85-35-31(95-108(72,73)74)27(92-105(63,64)65)23(90-103(57,58)59)19(83-35)13-79-99(45,46)47/h5-8,16-35H,2-4,9-13H2,1H3,(H,36,37,38)(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)/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	310	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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