BindingDB logo
myBDB logout

BDBM75583 4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-phenyl-1-piperidinyl)ethyl]benzamide::4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide::KSC-11-169-1::KUC105604N::N-[2-(4-phenylpiperidino)ethyl]-4-[(tosylamino)methyl]benzamide::cid_45479163

SMILES: Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCC(CC1)c1ccccc1

InChI Key: InChIKey=RLXNDOHYVGQDMF-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 = 75583   
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))
BDBM75583
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H33N3O3S/c1-22-7-13-27(14-8-22)35(33,34)30-21-23-9-11-26(12-10-23)28(32)29-17-20-31-18-15-25(16-19-31)24-5-3-2-4-6-24/h2-14,25,30H,15-21H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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/Q29S1PHQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM75583
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H33N3O3S/c1-22-7-13-27(14-8-22)35(33,34)30-21-23-9-11-26(12-10-23)28(32)29-17-20-31-18-15-25(16-19-31)24-5-3-2-4-6-24/h2-14,25,30H,15-21H2,1H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.88E+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/Q26Q1VQV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM75583
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H33N3O3S/c1-22-7-13-27(14-8-22)35(33,34)30-21-23-9-11-26(12-10-23)28(32)29-17-20-31-18-15-25(16-19-31)24-5-3-2-4-6-24/h2-14,25,30H,15-21H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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))
BDBM75583
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-(4-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C28H33N3O3S/c1-22-7-13-27(14-8-22)35(33,34)30-21-23-9-11-26(12-10-23)28(32)29-17-20-31-18-15-25(16-19-31)24-5-3-2-4-6-24/h2-14,25,30H,15-21H2,1H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.06E+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