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BDBM49227 (6E)-6-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone::(6E)-6-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one::(6E)-6-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one::MLS000097909::SMR000060538::cid_5742561

SMILES: Oc1ccccc1-c1cc([nH]n1)-c1ccc2OCCOc2c1

InChI Key: InChIKey=BHAIJGZQJXALAJ-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 49227   
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 factor NF-kappa-B


(Homo sapiens (Human))
BDBM49227
PNG
((6E)-6-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-d...)
Show SMILES Oc1ccccc1-c1cc([nH]n1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H14N2O3/c20-15-4-2-1-3-12(15)14-10-13(18-19-14)11-5-6-16-17(9-11)22-8-7-21-16/h1-6,9-10,20H,7-8H2,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 639n/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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM49227
PNG
((6E)-6-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-d...)
Show SMILES Oc1ccccc1-c1cc([nH]n1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H14N2O3/c20-15-4-2-1-3-12(15)14-10-13(18-19-14)11-5-6-16-17(9-11)22-8-7-21-16/h1-6,9-10,20H,7-8H2,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.76E+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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM49227
PNG
((6E)-6-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-d...)
Show SMILES Oc1ccccc1-c1cc([nH]n1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H14N2O3/c20-15-4-2-1-3-12(15)14-10-13(18-19-14)11-5-6-16-17(9-11)22-8-7-21-16/h1-6,9-10,20H,7-8H2,(H,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
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PCBioAssay
n/an/a>6.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZG6QV9
More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens (Human))
BDBM49227
PNG
((6E)-6-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-d...)
Show SMILES Oc1ccccc1-c1cc([nH]n1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C17H14N2O3/c20-15-4-2-1-3-12(15)14-10-13(18-19-14)11-5-6-16-17(9-11)22-8-7-21-16/h1-6,9-10,20H,7-8H2,(H,18,19)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23777B0
More data for this
Ligand-Target Pair