Found 2 hits Enz. Inhib. hit(s) with Target = 'Heparanase' and Ligand = 'BDBM50375292' 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)) | BDBM50375292
(CHEMBL407200)Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2C(OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[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](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |w:11.11| Show InChI InChI=1S/C24H42O63S14/c25-88(26,27)67-1-5-9(78-92(37,38)39)13(76-23-20(86-100(61,62)63)16(83-97(52,53)54)12(81-95(46,47)48)7(73-23)3-69-90(31,32)33)18(84-98(55,56)57)21(71-5)75-14-10(79-93(40,41)42)6(2-68-89(28,29)30)72-22(19(14)85-99(58,59)60)77-17-15(82-96(49,50)51)11(80-94(43,44)45)8(4-70-91(34,35)36)74-24(17)87-101(64,65)66/h5-24H,1-4H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(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-14/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | 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 platelet heparanase by competitive binding assay |
Bioorg Med Chem 16: 699-709 (2008)
Article DOI: 10.1016/j.bmc.2007.10.044 BindingDB Entry DOI: 10.7270/Q2SQ918D |
More data for this Ligand-Target Pair | |
Heparanase
(Homo sapiens (Human)) | BDBM50375292
(CHEMBL407200)Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2C(OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[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](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |w:11.11| Show InChI InChI=1S/C24H42O63S14/c25-88(26,27)67-1-5-9(78-92(37,38)39)13(76-23-20(86-100(61,62)63)16(83-97(52,53)54)12(81-95(46,47)48)7(73-23)3-69-90(31,32)33)18(84-98(55,56)57)21(71-5)75-14-10(79-93(40,41)42)6(2-68-89(28,29)30)72-22(19(14)85-99(58,59)60)77-17-15(82-96(49,50)51)11(80-94(43,44)45)8(4-70-91(34,35)36)74-24(17)87-101(64,65)66/h5-24H,1-4H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(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-14/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Progen Pharmaceuticals Limited
Curated by ChEMBL
| Assay Description Inhibition of human platelet heparanase |
Bioorg Med Chem 16: 699-709 (2008)
Article DOI: 10.1016/j.bmc.2007.10.044 BindingDB Entry DOI: 10.7270/Q2SQ918D |
More data for this Ligand-Target Pair | |