BindingDB logo
myBDB logout

null

SMILES: CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1

InChI Key: InChIKey=SMHOEZZAXOTQSA-UHFFFAOYSA-N

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 2 hits for monomerid = 75977   
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
Photoreceptor-specific nuclear receptor


(Homo sapiens (Human))
BDBM75977
PNG
(MLS000579861 | N-[5-(diethylsulfamoyl)-2-methoxy-p...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
Show InChI InChI=1S/C23H26N2O7S/c1-5-25(6-2)33(28,29)17-8-10-20(30-4)19(13-17)24-22(26)14-31-16-7-9-18-15(3)11-23(27)32-21(18)12-16/h7-13H,5-6,14H2,1-4H3,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.35E+3n/an/an/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BK19S0
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor corepressor 2 (TRAC-1)


(Homo sapiens (Human))
BDBM75977
PNG
(MLS000579861 | N-[5-(diethylsulfamoyl)-2-methoxy-p...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
Show InChI InChI=1S/C23H26N2O7S/c1-5-25(6-2)33(28,29)17-8-10-20(30-4)19(13-17)24-22(26)14-31-16-7-9-18-15(3)11-23(27)32-21(18)12-16/h7-13H,5-6,14H2,1-4H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.14E+3n/an/an/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26T0K34
More data for this
Ligand-Target Pair