BindingDB logo
myBDB logout

BDBM50310304 CHEMBL597510::N,N'-(ethane-1,2-diyl)bis(N-ethyl-3-hydroxybenzenesulfonamide)

SMILES: CCN(CCN(CC)S(=O)(=O)c1cccc(O)c1)S(=O)(=O)c1cccc(O)c1

InChI Key: InChIKey=LHKCYBKBDLNTOT-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 = 50310304   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Coagulation factor X/antithrombin III


(Homo sapiens)
BDBM50310304
PNG
(CHEMBL597510 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-3...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1cccc(O)c1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-7-15(21)13-17)11-12-20(4-2)28(25,26)18-10-6-8-16(22)14-18/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Plasminogen activator inhibitor-1


(Homo sapiens (Human))
BDBM50310304
PNG
(CHEMBL597510 | N,N'-(ethane-1,2-diyl)bis(N-ethyl-3...)
Show SMILES CCN(CCN(CC)S(=O)(=O)c1cccc(O)c1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C18H24N2O6S2/c1-3-19(27(23,24)17-9-5-7-15(21)13-17)11-12-20(4-2)28(25,26)18-10-6-8-16(22)14-18/h5-10,13-14,21-22H,3-4,11-12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.43E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair