BindingDB logo
myBDB logout

BDBM26548 1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}azetidine-3-thiol::thiol-arylsulfonamide, 16a

InChI string: InChI=1S/C13H16N2O2S2/c1-2-3-8-14-11-4-6-13(7-5-11)19(16,17)15-9-12(18)10-15/h4-7,12,14,18H,8-10H2,1H3

SMILES: CC#CCNc1ccc(cc1)S(=O)(=O)N1CC(S)C1

InChI Key: InChIKey=WRNABYIRRHWIRI-UHFFFAOYSA-N

Data: 1 KI

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 = 26548   
Target
(Institution)
LigandTarget
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
TNF-alpha-Converting Enzyme


(Homo sapiens (human))
BDBM26548
PNG
(1-{[4-(but-2-yn-1-ylamino)benzene]sulfonyl}azetidi...)
Show SMILES CC#CCNc1ccc(cc1)S(=O)(=O)N1CC(S)C1
Show InChI InChI=1S/C13H16N2O2S2/c1-2-3-8-14-11-4-6-13(7-5-11)19(16,17)15-9-12(18)10-15/h4-7,12,14,18H,8-10H2,1H3
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
11 -10.7n/an/an/an/an/a7.522



Vertex Pharmaceuticals



Assay Description
The compounds were tested for TACE inhibition using fluorescence resonance energy transfer (FRET) assay. TACE catalyzed cleavage of the substrate pep...


Bioorg Med Chem Lett 17: 2250-3 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)