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BDBM40683 MLS000550970::N-[4-[[1,4-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-1-yl]naphthalen-2-yl]sulfamoyl]phenyl]ethanamide::N-[4-[[1,4-dioxo-3-[4-(phenylmethyl)-1-piperazinyl]-2-naphthalenyl]sulfamoyl]phenyl]acetamide::N-[4-[[3-(4-benzylpiperazin-1-yl)-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide::N-[4-[[3-(4-benzylpiperazino)-1,4-diketo-2-naphthyl]sulfamoyl]phenyl]acetamide::N-{4-[3-(4-Benzyl-piperazin-1-yl)-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfamoyl]-phenyl}-acetamide::SMR000145098::cid_3799497

SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O

InChI Key: InChIKey=UNYWPVHQAQLYED-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 40683   
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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40683
PNG
(MLS000550970 | N-[4-[[1,4-bis(oxidanylidene)-3-[4-...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O |c:15|
Show InChI InChI=1S/C29H28N4O5S/c1-20(34)30-22-11-13-23(14-12-22)39(37,38)31-26-27(29(36)25-10-6-5-9-24(25)28(26)35)33-17-15-32(16-18-33)19-21-7-3-2-4-8-21/h2-14,31H,15-19H2,1H3,(H,30,34)
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MMDB

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n/an/a 7.79E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM40683
PNG
(MLS000550970 | N-[4-[[1,4-bis(oxidanylidene)-3-[4-...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O |c:15|
Show InChI InChI=1S/C29H28N4O5S/c1-20(34)30-22-11-13-23(14-12-22)39(37,38)31-26-27(29(36)25-10-6-5-9-24(25)28(26)35)33-17-15-32(16-18-33)19-21-7-3-2-4-8-21/h2-14,31H,15-19H2,1H3,(H,30,34)
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n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM40683
PNG
(MLS000550970 | N-[4-[[1,4-bis(oxidanylidene)-3-[4-...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=C(N2CCN(Cc3ccccc3)CC2)C(=O)c2ccccc2C1=O |c:15|
Show InChI InChI=1S/C29H28N4O5S/c1-20(34)30-22-11-13-23(14-12-22)39(37,38)31-26-27(29(36)25-10-6-5-9-24(25)28(26)35)33-17-15-32(16-18-33)19-21-7-3-2-4-8-21/h2-14,31H,15-19H2,1H3,(H,30,34)
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PC cid
PC sid
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PCBioAssay
n/an/an/an/a>9.24E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair