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SMILES: [H]C12CC(C(=O)NCCN3C(=O)S\C(=C/c4ccc(OC)cc4)C3=O)C([H])(C1)C=C2

InChI Key: InChIKey=WLDNKAUYZYEEKC-PDGQHHTCSA-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 = 49951   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49951
PNG
(MLS001010697 | N-[2-[(5Z)-2,4-diketo-5-p-anisylide...)
Show SMILES [H]C12CC(C(=O)NCCN3C(=O)S\C(=C/c4ccc(OC)cc4)C3=O)C([H])(C1)C=C2 |c:31,THB:4:3:27:28.29|
Show InChI InChI=1S/C21H22N2O4S/c1-27-16-6-3-13(4-7-16)12-18-20(25)23(21(26)28-18)9-8-22-19(24)17-11-14-2-5-15(17)10-14/h2-7,12,14-15,17H,8-11H2,1H3,(H,22,24)/b18-12-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.75E+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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM49951
PNG
(MLS001010697 | N-[2-[(5Z)-2,4-diketo-5-p-anisylide...)
Show SMILES [H]C12CC(C(=O)NCCN3C(=O)S\C(=C/c4ccc(OC)cc4)C3=O)C([H])(C1)C=C2 |c:31,THB:4:3:27:28.29|
Show InChI InChI=1S/C21H22N2O4S/c1-27-16-6-3-13(4-7-16)12-18-20(25)23(21(26)28-18)9-8-22-19(24)17-11-14-2-5-15(17)10-14/h2-7,12,14-15,17H,8-11H2,1H3,(H,22,24)/b18-12-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.14E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair