BDBM50375290 CHEMBL279625

SMILES: [O-]S(=O)(=O)N[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([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

InChI Key: InChIKey=QEAYNGKCQUYUPT-YLYXQHNGSA-A

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50375290   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heparanase (Homo sapiens (Human))	BDBM50375290 (CHEMBL279625) Show SMILES [O-]S(=O)(=O)N[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([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 Show InChI InChI=1S/C24H43NO62S14/c26-88(27,28)25-21-17(15(83-97(53,54)55)11(81-95(47,48)49)5(72-21)1-68-89(29,30)31)78-23-19(86-100(62,63)64)14(10(80-94(44,45)46)7(74-23)3-70-91(35,36)37)76-22-18(85-99(59,60)61)13(9(79-93(41,42)43)6(73-22)2-69-90(32,33)34)77-24-20(87-101(65,66)67)16(84-98(56,57)58)12(82-96(50,51)52)8(75-24)4-71-92(38,39)40/h5-25H,1-4H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)(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)/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	Article PubMed	240	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))	BDBM50375290 (CHEMBL279625) Show SMILES [O-]S(=O)(=O)N[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([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 Show InChI InChI=1S/C24H43NO62S14/c26-88(27,28)25-21-17(15(83-97(53,54)55)11(81-95(47,48)49)5(72-21)1-68-89(29,30)31)78-23-19(86-100(62,63)64)14(10(80-94(44,45)46)7(74-23)3-70-91(35,36)37)76-22-18(85-99(59,60)61)13(9(79-93(41,42)43)6(73-22)2-69-90(32,33)34)77-24-20(87-101(65,66)67)16(84-98(56,57)58)12(82-96(50,51)52)8(75-24)4-71-92(38,39)40/h5-25H,1-4H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)(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)/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	Article PubMed	n/a	n/a	990	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