BDBM50378854 IDRAPARINUX SODIUM

SMILES: CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OC)[C@H]2OC)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O

InChI Key: InChIKey=AJBMORBNKXNZSF-SXFYKSCTSA-E

Data: 1 Kd

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 1 hit for monomerid = 50378854   

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
Coagulation factor X/antithrombin III (Homo sapiens (Human))	BDBM50378854 (IDRAPARINUX SODIUM) Show SMILES CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H]([C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OC)[C@H]2OC)C([O-])=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C38H64O49S7/c1-64-15-12(9-72-88(43,44)45)76-35(27(68-5)18(15)65-2)80-21-19(66-3)28(69-6)37(82-25(21)32(39)40)79-17-14(11-74-90(49,50)51)77-38(31(87-94(61,62)63)24(17)85-92(55,56)57)81-22-20(67-4)29(70-7)36(83-26(22)33(41)42)78-16-13(10-73-89(46,47)48)75-34(71-8)30(86-93(58,59)60)23(16)84-91(52,53)54/h12-31,34-38H,9-11H2,1-8H3,(H,39,40)(H,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)/p-9/t12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,34+,35-,36+,37-,38-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Binding affinity to antithrombin 3				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
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