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BDBM71567 KSC-11-23-1::KUC104147N::N-[2-[benzyl(ethyl)amino]ethyl]-4-[(tosylamino)methyl]benzamide::N-[2-[benzyl(ethyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide::N-[2-[ethyl-(phenylmethyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide::cid_44608034

SMILES: CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1

InChI Key: InChIKey=IBBNUUQERKBQKT-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 71567   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 5.57E+3n/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/Q22F7KW2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 2.93E+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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27P8WW4
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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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))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 5.57E+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))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 2.93E+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))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 1.03E+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))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM71567
PNG
(KSC-11-23-1 | KUC104147N | N-[2-[benzyl(ethyl)amin...)
Show SMILES CCN(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C26H31N3O3S/c1-3-29(20-23-7-5-4-6-8-23)18-17-27-26(30)24-13-11-22(12-14-24)19-28-33(31,32)25-15-9-21(2)10-16-25/h4-16,28H,3,17-20H2,1-2H3,(H,27,30)
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n/an/a 1.03E+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/Q26Q1VQV
More data for this
Ligand-Target Pair