BDBM50260052 CHEMBL4079552

SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OCc2cccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)c2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O

InChI Key: InChIKey=RVOFSORJVWEMIF-UHFFFAOYSA-F

Data: 2 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 = 50260052   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50260052 (CHEMBL4079552) Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OCc2cccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)c2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O Show InChI InChI=1S/C38H26O38S8/c39-33-31-27(11-21(69-77(41,42)43)13-29(31)67-35(37(33)75-83(59,60)61)19-4-6-23(71-79(47,48)49)25(9-19)73-81(53,54)55)65-15-17-2-1-3-18(8-17)16-66-28-12-22(70-78(44,45)46)14-30-32(28)34(40)38(76-84(62,63)64)36(68-30)20-5-7-24(72-80(50,51)52)26(10-20)74-82(56,57)58/h1-14H,15-16H2,(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)/p-8	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using S1384 as substrate preincubated for 5 mins followed by substrate addition				J Med Chem 62: 5501-5511 (2019) Article DOI: 10.1021/acs.jmedchem.9b00379
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50260052 (CHEMBL4079552) Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1cc(OCc2cccc(COc3cc(OS([O-])(=O)=O)cc4oc(-c5ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c5)c(OS([O-])(=O)=O)c(=O)c34)c2)c2c(c1)oc(-c1ccc(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c1)c(OS([O-])(=O)=O)c2=O Show InChI InChI=1S/C38H26O38S8/c39-33-31-27(11-21(69-77(41,42)43)13-29(31)67-35(37(33)75-83(59,60)61)19-4-6-23(71-79(47,48)49)25(9-19)73-81(53,54)55)65-15-17-2-1-3-18(8-17)16-66-28-12-22(70-78(44,45)46)14-30-32(28)34(40)38(76-84(62,63)64)36(68-30)20-5-7-24(72-80(50,51)52)26(10-20)74-82(56,57)58/h1-14H,15-16H2,(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)/p-8	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry, and Institute for Structural Biology, Drug Discovery and Development, Virginia Commonwealth University , Richmond, Virginia 23219, United States. Curated by ChEMBL					Assay Description Allosteric inhibition of full length human plasmin by using chromogenic substrate spectrozyme PL preincubated for 5 mins followed by substrate additi...				J Med Chem 60: 641-657 (2017) Article DOI: 10.1021/acs.jmedchem.6b01474 BindingDB Entry DOI: 10.7270/Q2CF9SJM
					More data for this Ligand-Target Pair