BDBM50310309 CHEMBL596879::N-(3,4-dihydroxyphenylsulfonyl)-N-hexyl-3,4-dihydroxybenzenesulfonamide

SMILES: CCCCCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1

InChI Key: InChIKey=ZJLHSPLLXQXMBJ-UHFFFAOYSA-N

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 = 50310309   

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))	BDBM50310309 (CHEMBL596879 | N-(3,4-dihydroxyphenylsulfonyl)-N-h...) Show SMILES CCCCCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO8S2/c1-2-3-4-5-10-19(28(24,25)13-6-8-15(20)17(22)11-13)29(26,27)14-7-9-16(21)18(23)12-14/h6-9,11-12,20-23H,2-5,10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Michigan University Curated by ChEMBL					Assay Description Inhibition of antithrombin-3 assessed as residual alpha-thrombin activity				Bioorg Med Chem Lett 20: 966-70 (2010) Article DOI: 10.1016/j.bmcl.2009.12.051 BindingDB Entry DOI: 10.7270/Q24M94P3
					More data for this Ligand-Target Pair
Plasminogen activator inhibitor-1 (Homo sapiens (Human))	BDBM50310309 (CHEMBL596879 | N-(3,4-dihydroxyphenylsulfonyl)-N-h...) Show SMILES CCCCCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C18H23NO8S2/c1-2-3-4-5-10-19(28(24,25)13-6-8-15(20)17(22)11-13)29(26,27)14-7-9-16(21)18(23)12-14/h6-9,11-12,20-23H,2-5,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Michigan University Curated by ChEMBL					Assay Description Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mins				Bioorg Med Chem Lett 20: 966-70 (2010) Article DOI: 10.1016/j.bmcl.2009.12.051 BindingDB Entry DOI: 10.7270/Q24M94P3
					More data for this Ligand-Target Pair