BDBM50234137 CHEMBL4074954

SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC.[H][C@@]1(O[C@@H]2[C@H](O)[C@@H](CO)O[C@@H]2CS([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4NS([O-])(=O)=O)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2NS([O-])(=O)=O)[C@H](O)[C@H]1OS([O-])(=O)=O

InChI Key: InChIKey=BNGWGFJIFZNAIT-VOBUQABGSA-E

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 = 50234137   

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))	BDBM50234137 (CHEMBL4074954) Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC.[H][C@@]1(O[C@@H]2[C@H](O)[C@@H](CO)O[C@@H]2CS([O-])(=O)=O)O[C@@H](C([O-])=O)[C@@]([H])(O[C@@H]2O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]3O[C@H](C([O-])=O)[C@@]([H])(O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]4NS([O-])(=O)=O)[C@H](O)[C@H]3O)[C@H](OS([O-])(=O)=O)[C@H]2NS([O-])(=O)=O)[C@H](O)[C@H]1OS([O-])(=O)=O |r| Show InChI InChI=1S/C30H50N2O45S7.C2H6.9Na/c33-1-5-12(35)17(8(67-5)4-78(44,45)46)70-30-22(77-84(62,63)64)16(39)21(24(75-30)26(42)43)73-28-10(32-80(50,51)52)19(76-83(59,60)61)18(7(69-28)3-66-82(56,57)58)71-29-15(38)14(37)20(23(74-29)25(40)41)72-27-9(31-79(47,48)49)13(36)11(34)6(68-27)2-65-81(53,54)55;1-2;;;;;;;;;/h5-24,27-39H,1-4H2,(H,40,41)(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);1-2H3;;;;;;;;;/q;;9*+1/p-9/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,22-,23+,24-,27-,28+,29-,30-;;;;;;;;;;/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	33	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