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BDBM39472 4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide::4-acetyl-N-2,3-dihydro-1,4-benzodioxin-6-yl-3,5-dimethyl-1H-pyrrole-2-carboxamide::MLS000045232::N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxamide::SMR000026824::cid_3239225

SMILES: CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3OCCOc3c2)c1C

InChI Key: InChIKey=JXRJLDVOEJJWAP-UHFFFAOYSA-N

Data: 3 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 = 39472   
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
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM39472
PNG
(4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3OCCOc3c2)c1C
Show InChI InChI=1S/C17H18N2O4/c1-9-15(11(3)20)10(2)18-16(9)17(21)19-12-4-5-13-14(8-12)23-7-6-22-13/h4-5,8,18H,6-7H2,1-3H3,(H,19,21)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 466n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q23T9FMP
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM39472
PNG
(4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3OCCOc3c2)c1C
Show InChI InChI=1S/C17H18N2O4/c1-9-15(11(3)20)10(2)18-16(9)17(21)19-12-4-5-13-14(8-12)23-7-6-22-13/h4-5,8,18H,6-7H2,1-3H3,(H,19,21)
PDB

KEGG

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n/an/an/an/a 5.26E+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
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39472
PNG
(4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3OCCOc3c2)c1C
Show InChI InChI=1S/C17H18N2O4/c1-9-15(11(3)20)10(2)18-16(9)17(21)19-12-4-5-13-14(8-12)23-7-6-22-13/h4-5,8,18H,6-7H2,1-3H3,(H,19,21)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 400n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q24T6GSH
More data for this
Ligand-Target Pair