BindingDB logo
myBDB logout

BDBM79616 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide::2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)acetamide::2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]acetamide::N-(2-chloro-5-pyrrolidinosulfonyl-phenyl)-2-[methyl(piperonyl)amino]acetamide::VU0424162-1::cid_16329116

SMILES: CN(CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1)Cc1ccc2OCOc2c1

InChI Key: InChIKey=FNXWHYKCMSKVSZ-UHFFFAOYSA-N

Data: 1 EC50

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 = 79616   
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
integrin alpha-L


(Mus musculus)		BDBM79616
PNG
(2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-c...)
Show SMILES CN(CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)N1CCCC1)Cc1ccc2OCOc2c1
Show InChI InChI=1S/C21H24ClN3O5S/c1-24(12-15-4-7-19-20(10-15)30-14-29-19)13-21(26)23-18-11-16(5-6-17(18)22)31(27,28)25-8-2-3-9-25/h4-7,10-11H,2-3,8-9,12-14H2,1H3,(H,23,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 197n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2XW4H88
More data for this
Ligand-Target Pair