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BDBM65828 4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]benzamide::4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamide::KSC-5-234::KUC103904N::N-[2-[benzyl(isopropyl)amino]ethyl]-4-[[(4-ethylphenyl)sulfonylamino]methyl]benzamide::N-[2-[benzyl(propan-2-yl)amino]ethyl]-4-[[(4-ethylphenyl)sulfonylamino]methyl]benzamide::cid_44601476

SMILES: CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C

InChI Key: InChIKey=HTGXHXMUOZRDNL-UHFFFAOYSA-N

Data: 5 IC50  4 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 9 hits for monomerid = 65828   
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))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/a 2.55E+3n/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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KC5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/an/an/a>3.20E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2SF2TNF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/an/an/a>3.20E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2NP22WN
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HX1B4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/a 1.12E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by DiscoveryRx b-arrestin PathHunter assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/a 2.55E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) using dynorphin A by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/a>3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor (unknown origin) using DAMGO by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/a>3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of delta opioid receptor (unknown origin) using SNC-80 by high content imaging beta-arrestin translocation assay


Bioorg Med Chem Lett 24: 2021-32 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.040
BindingDB Entry DOI: 10.7270/Q2222WBX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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n/an/an/an/a>2.00E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2D50KDG
More data for this
Ligand-Target Pair