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BDBM75584 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-(4-phenyl-1-piperazinyl)propyl]benzamide::4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide::KSC-11-175-1::KUC105605N::N-[3-(4-phenylpiperazino)propyl]-4-[(tosylamino)methyl]benzamide::cid_45479169

SMILES: Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1

InChI Key: InChIKey=NYZNRIUQDUFAGX-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 75584   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM75584
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C28H34N4O3S/c1-23-8-14-27(15-9-23)36(34,35)30-22-24-10-12-25(13-11-24)28(33)29-16-5-17-31-18-20-32(21-19-31)26-6-3-2-4-7-26/h2-4,6-15,30H,5,16-22H2,1H3,(H,29,33)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM75584
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C28H34N4O3S/c1-23-8-14-27(15-9-23)36(34,35)30-22-24-10-12-25(13-11-24)28(33)29-16-5-17-31-18-20-32(21-19-31)26-6-3-2-4-7-26/h2-4,6-15,30H,5,16-22H2,1H3,(H,29,33)
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n/an/a>3.20E+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/Q2028Q01
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM75584
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C28H34N4O3S/c1-23-8-14-27(15-9-23)36(34,35)30-22-24-10-12-25(13-11-24)28(33)29-16-5-17-31-18-20-32(21-19-31)26-6-3-2-4-7-26/h2-4,6-15,30H,5,16-22H2,1H3,(H,29,33)
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n/an/a 469n/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/Q26Q1VQV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM75584
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C28H34N4O3S/c1-23-8-14-27(15-9-23)36(34,35)30-22-24-10-12-25(13-11-24)28(33)29-16-5-17-31-18-20-32(21-19-31)26-6-3-2-4-7-26/h2-4,6-15,30H,5,16-22H2,1H3,(H,29,33)
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n/an/a>3.20E+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/Q2G73C59
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM75584
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C28H34N4O3S/c1-23-8-14-27(15-9-23)36(34,35)30-22-24-10-12-25(13-11-24)28(33)29-16-5-17-31-18-20-32(21-19-31)26-6-3-2-4-7-26/h2-4,6-15,30H,5,16-22H2,1H3,(H,29,33)
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n/an/a>2.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2V986J5
More data for this
Ligand-Target Pair