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BDBM59382 1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(phenylmethyl)piperazine;hydrochloride::1-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-4-(phenylmethyl)piperazine;hydrochloride::1-benzyl-4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazine;hydrochloride::1-benzyl-4-[(2,5-dimethyl-3-thienyl)sulfonyl]piperazine;hydrochloride::1-benzyl-4-[(2,5-dimethylthien-3-yl)sulfonyl]piperazine::MLS000120451::SMR000102064::cid_6603587

SMILES: Cc1cc(c(C)s1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=CTKUFPDTRNVLJM-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 59382   
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
X-linked inhibitor of apoptosis protein (XIAP)


(Homo sapiens (Human))
BDBM59382
PNG
(1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(phenylmet...)
Show SMILES Cc1cc(c(C)s1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H22N2O2S2/c1-14-12-17(15(2)22-14)23(20,21)19-10-8-18(9-11-19)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 1.00E+5n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


Article DOI: 10.1016/j.bioorg.2014.02.002
BindingDB Entry DOI: 10.7270/Q2HD7T4S
More data for this
Ligand-Target Pair