BDBM50234132 CHEMBL4085202

SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC)O[C@@H]2COS([O-])(=O)=O)O[C@@]2([H])C(=O)N[C@]3([H])[C@@H](OS([O-])(=O)=O)[C@]([H])(O[C@@H]4O[C@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)[C@@H](COS([O-])(=O)=O)O[C@@]3([H])O[C@]2([H])[C@H](O)[C@H]1OS([O-])(=O)=O

InChI Key: InChIKey=UGYVFJGGEYYFIY-ZBZSBEHQSA-F

Data: 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 1 hit for monomerid = 50234132   

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 (Homo sapiens (Human))	BDBM50234132 (CHEMBL4085202) Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC)O[C@@H]2COS([O-])(=O)=O)O[C@@]2([H])C(=O)N[C@]3([H])[C@@H](OS([O-])(=O)=O)[C@]([H])(O[C@@H]4O[C@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4O)[C@@H](COS([O-])(=O)=O)O[C@@]3([H])O[C@]2([H])[C@H](O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C31H51N3O45S7.8Na/c1-65-27-9(34-81(47,48)49)13(37)17(6(70-27)3-67-83(53,54)55)72-31-22(79-86(62,63)64)16(40)21-23(76-31)25(41)32-10-19(78-85(59,60)61)18(7(71-29(10)75-21)4-68-84(56,57)58)73-30-15(39)14(38)20(24(77-30)26(42)43)74-28-8(33-80(44,45)46)12(36)11(35)5(69-28)2-66-82(50,51)52;;;;;;;;/h5-24,27-31,33-40H,2-4H2,1H3,(H,32,41)(H,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);;;;;;;;/q;8*+1/p-8/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21-,22-,23-,24+,27+,28-,29+,30-,31-;;;;;;;;/m1......../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Nankai University Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) using S-2765 as substrate preincubated with AT-3 followed by factor 10a addition for 60 secs and subsequent...				Eur J Med Chem 126: 1039-1055 (2017) BindingDB Entry DOI: 10.7270/Q2Z321W5
					More data for this Ligand-Target Pair