BDBM50310310 CHEMBL596880::N-benzyl-N-(3,4-dihydroxyphenylsulfonyl)-3,4-dihydroxybenzenesulfonamide

SMILES: Oc1ccc(cc1O)S(=O)(=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(O)c(O)c1

InChI Key: InChIKey=VNNYASHPQGTDOU-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 = 50310310   

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))	BDBM50310310 (CHEMBL596880 | N-benzyl-N-(3,4-dihydroxyphenylsulf...) Show SMILES Oc1ccc(cc1O)S(=O)(=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H17NO8S2/c21-16-8-6-14(10-18(16)23)29(25,26)20(12-13-4-2-1-3-5-13)30(27,28)15-7-9-17(22)19(24)11-15/h1-11,21-24H,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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))	BDBM50310310 (CHEMBL596880 | N-benzyl-N-(3,4-dihydroxyphenylsulf...) Show SMILES Oc1ccc(cc1O)S(=O)(=O)N(Cc1ccccc1)S(=O)(=O)c1ccc(O)c(O)c1 Show InChI InChI=1S/C19H17NO8S2/c21-16-8-6-14(10-18(16)23)29(25,26)20(12-13-4-2-1-3-5-13)30(27,28)15-7-9-17(22)19(24)11-15/h1-11,21-24H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.82E+3	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