BDBM50234136 CHEMBL4082681

SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC.[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@@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=BERPMGPANVGQJV-TZUQOLNWSA-D

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 = 50234136   

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))	BDBM50234136 (CHEMBL4082681) Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC.[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@@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/C31H53N3O49S8.C2H6.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;1-2;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);1-2H3;;;;;;;;;;/q;;10*+1/p-10/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	5.30	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