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BDBM74488 2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethyl-amino]ethanol;hydrochloride::2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethylamino]ethanol;hydrochloride::2-[(5-tert-butylbenzothiophen-3-yl)methyl-ethyl-amino]ethanol;hydrochloride::2-[[(5-tert-butyl-1-benzothien-3-yl)methyl](ethyl)amino]ethanol::MLS000756219::SMR000224490::cid_15945014

SMILES: CCN(CCO)Cc1csc2ccc(cc12)C(C)(C)C

InChI Key: InChIKey=WYIMISUFHIJOTF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 74488   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74488
PNG
(2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethyl...)
Show SMILES CCN(CCO)Cc1csc2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C17H25NOS/c1-5-18(8-9-19)11-13-12-20-16-7-6-14(10-15(13)16)17(2,3)4/h6-7,10,12,19H,5,8-9,11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74488
PNG
(2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethyl...)
Show SMILES CCN(CCO)Cc1csc2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C17H25NOS/c1-5-18(8-9-19)11-13-12-20-16-7-6-14(10-15(13)16)17(2,3)4/h6-7,10,12,19H,5,8-9,11H2,1-4H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM74488
PNG
(2-[(5-tert-butyl-1-benzothiophen-3-yl)methyl-ethyl...)
Show SMILES CCN(CCO)Cc1csc2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C17H25NOS/c1-5-18(8-9-19)11-13-12-20-16-7-6-14(10-15(13)16)17(2,3)4/h6-7,10,12,19H,5,8-9,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+4n/an/an/an/an/an/a



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 (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair