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BDBM50279255 2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methyl-1H-indol-3-yl)propanoic acid::CHEMBL497733::rac-2-(4-But-2-ynyloxy-benzenesulfonyl-amino)-3-(5-methyl-1H-indol-3-yl)-propionic acid

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(C)cc12)C(O)=O

InChI Key: InChIKey=SFVPXERGVLDWIS-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50279255   
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
ADAM17


(Homo sapiens (Human))
BDBM50279255
PNG
(2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methyl...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)NC(Cc1c[nH]c2ccc(C)cc12)C(O)=O
Show InChI InChI=1S/C22H22N2O5S/c1-3-4-11-29-17-6-8-18(9-7-17)30(27,28)24-21(22(25)26)13-16-14-23-20-10-5-15(2)12-19(16)20/h5-10,12,14,21,23-24H,11,13H2,1-2H3,(H,25,26)
PDB
MMDB

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PDB
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE by FRET assay


Bioorg Med Chem 17: 3857-65 (2009)

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