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BDBM80782 2-(1H-indol-3-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)ethanamide::2-(1H-indol-3-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide::2-(1H-indol-3-yl)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)acetamide::2-(1H-indol-3-yl)-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]acetamide::MLS000409356::SMR000247628::cid_4875727

SMILES: COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1

InChI Key: InChIKey=DLJAIAYKXYBOQM-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 80782   
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
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM80782
PNG
(2-(1H-indol-3-yl)-N-(4-methoxy-3-piperidin-1-ylsul...)
Show SMILES COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H25N3O4S/c1-29-20-10-9-17(14-21(20)30(27,28)25-11-5-2-6-12-25)24-22(26)13-16-15-23-19-8-4-3-7-18(16)19/h3-4,7-10,14-15,23H,2,5-6,11-13H2,1H3,(H,24,26)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.00E+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 (2011)


BindingDB Entry DOI: 10.7270/Q23F4N3R
More data for this
Ligand-Target Pair
putative hexokinase HKDC1


(Homo sapiens (Human))
BDBM80782
PNG
(2-(1H-indol-3-yl)-N-(4-methoxy-3-piperidin-1-ylsul...)
Show SMILES COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H25N3O4S/c1-29-20-10-9-17(14-21(20)30(27,28)25-11-5-2-6-12-25)24-22(26)13-16-15-23-19-8-4-3-7-18(16)19/h3-4,7-10,14-15,23H,2,5-6,11-13H2,1H3,(H,24,26)
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>8.00E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2R78CQV
More data for this
Ligand-Target Pair