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SMILES: Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=NLQGZVKXLTWART-DPLHUUCSSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 42026   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM42026
PNG
((3aS,4R,9bR)-6,8-dimethyl-4-[4-(morpholin-4-ylsulf...)
Show SMILES Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:10|
Show InChI InChI=1S/C24H28N2O3S/c1-16-14-17(2)23-22(15-16)20-4-3-5-21(20)24(25-23)18-6-8-19(9-7-18)30(27,28)26-10-12-29-13-11-26/h3-4,6-9,14-15,20-21,24-25H,5,10-13H2,1-2H3/t20-,21+,24+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PCBioAssay
n/an/an/an/a 44.4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HQ3XB9
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM42026
PNG
((3aS,4R,9bR)-6,8-dimethyl-4-[4-(morpholin-4-ylsulf...)
Show SMILES Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:10|
Show InChI InChI=1S/C24H28N2O3S/c1-16-14-17(2)23-22(15-16)20-4-3-5-21(20)24(25-23)18-6-8-19(9-7-18)30(27,28)26-10-12-29-13-11-26/h3-4,6-9,14-15,20-21,24-25H,5,10-13H2,1-2H3/t20-,21+,24+/m1/s1
PDB

UniProtKB/SwissProt

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n/an/an/an/a 165n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VQ313H
More data for this
Ligand-Target Pair
Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM42026
PNG
((3aS,4R,9bR)-6,8-dimethyl-4-[4-(morpholin-4-ylsulf...)
Show SMILES Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:10|
Show InChI InChI=1S/C24H28N2O3S/c1-16-14-17(2)23-22(15-16)20-4-3-5-21(20)24(25-23)18-6-8-19(9-7-18)30(27,28)26-10-12-29-13-11-26/h3-4,6-9,14-15,20-21,24-25H,5,10-13H2,1-2H3/t20-,21+,24+/m1/s1
KEGG

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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2D798VP
More data for this
Ligand-Target Pair
POsterior Segregation


(Caenorhabditis elegans)
BDBM42026
PNG
((3aS,4R,9bR)-6,8-dimethyl-4-[4-(morpholin-4-ylsulf...)
Show SMILES Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:10|
Show InChI InChI=1S/C24H28N2O3S/c1-16-14-17(2)23-22(15-16)20-4-3-5-21(20)24(25-23)18-6-8-19(9-7-18)30(27,28)26-10-12-29-13-11-26/h3-4,6-9,14-15,20-21,24-25H,5,10-13H2,1-2H3/t20-,21+,24+/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

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n/an/an/an/a 3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28G8J4C
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM42026
PNG
((3aS,4R,9bR)-6,8-dimethyl-4-[4-(morpholin-4-ylsulf...)
Show SMILES Cc1cc(C)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1 |c:10|
Show InChI InChI=1S/C24H28N2O3S/c1-16-14-17(2)23-22(15-16)20-4-3-5-21(20)24(25-23)18-6-8-19(9-7-18)30(27,28)26-10-12-29-13-11-26/h3-4,6-9,14-15,20-21,24-25H,5,10-13H2,1-2H3/t20-,21+,24+/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 2.74E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair