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BDBM71575 KSC-11-30-1::KUC104155N::N-[2-(dibenzylamino)ethyl]-4-[(m-tolylsulfonylamino)methyl]benzamide::N-[2-(dibenzylamino)ethyl]-4-[[(3-methylphenyl)sulfonylamino]methyl]benzamide::N-[2-[bis(phenylmethyl)amino]ethyl]-4-[[(3-methylphenyl)sulfonylamino]methyl]benzamide::cid_44608038

SMILES: Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=DGQWIHOPQAGTEQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 71575   
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))
BDBM71575
PNG
(KSC-11-30-1 | KUC104155N | N-[2-(dibenzylamino)eth...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H33N3O3S/c1-25-9-8-14-30(21-25)38(36,37)33-22-26-15-17-29(18-16-26)31(35)32-19-20-34(23-27-10-4-2-5-11-27)24-28-12-6-3-7-13-28/h2-18,21,33H,19-20,22-24H2,1H3,(H,32,35)
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PC sid
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PCBioAssay
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/Q22F7KW2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM71575
PNG
(KSC-11-30-1 | KUC104155N | N-[2-(dibenzylamino)eth...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H33N3O3S/c1-25-9-8-14-30(21-25)38(36,37)33-22-26-15-17-29(18-16-26)31(35)32-19-20-34(23-27-10-4-2-5-11-27)24-28-12-6-3-7-13-28/h2-18,21,33H,19-20,22-24H2,1H3,(H,32,35)
PDB

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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/Q26Q1VQV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM71575
PNG
(KSC-11-30-1 | KUC104155N | N-[2-(dibenzylamino)eth...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H33N3O3S/c1-25-9-8-14-30(21-25)38(36,37)33-22-26-15-17-29(18-16-26)31(35)32-19-20-34(23-27-10-4-2-5-11-27)24-28-12-6-3-7-13-28/h2-18,21,33H,19-20,22-24H2,1H3,(H,32,35)
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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))
BDBM71575
PNG
(KSC-11-30-1 | KUC104155N | N-[2-(dibenzylamino)eth...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H33N3O3S/c1-25-9-8-14-30(21-25)38(36,37)33-22-26-15-17-29(18-16-26)31(35)32-19-20-34(23-27-10-4-2-5-11-27)24-28-12-6-3-7-13-28/h2-18,21,33H,19-20,22-24H2,1H3,(H,32,35)
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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/Q27P8WW4
More data for this
Ligand-Target Pair