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BDBM42028 (3aS,4R,9bR)-6-chloranyl-4-(4-morpholin-4-ylsulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid::(3aS,4R,9bR)-6-chloro-4-(4-morpholin-4-ylsulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid::(3aS,4R,9bR)-6-chloro-4-(4-morpholinosulfonylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid::(3aS,4R,9bR)-6-chloro-4-[4-(4-morpholinylsulfonyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid::MLS000705473::SMR000230901::cid_15945793

SMILES: OC(=O)c1cc(Cl)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=IMTBEAHKSQDZEG-LQWHRVPQSA-N

Data: 4 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 = 42028   
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))
BDBM42028
PNG
((3aS,4R,9bR)-6-chloranyl-4-(4-morpholin-4-ylsulfon...)
Show SMILES OC(=O)c1cc(Cl)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H23ClN2O5S/c24-20-13-15(23(27)28)12-19-17-2-1-3-18(17)21(25-22(19)20)14-4-6-16(7-5-14)32(29,30)26-8-10-31-11-9-26/h1-2,4-7,12-13,17-18,21,25H,3,8-11H2,(H,27,28)/t17-,18+,21+/m1/s1
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PCBioAssay
n/an/an/an/a 1.01E+3n/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
RecName: Full=Zinc finger protein mex-5


(Caenorhabditis elegans)
BDBM42028
PNG
((3aS,4R,9bR)-6-chloranyl-4-(4-morpholin-4-ylsulfon...)
Show SMILES OC(=O)c1cc(Cl)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H23ClN2O5S/c24-20-13-15(23(27)28)12-19-17-2-1-3-18(17)21(25-22(19)20)14-4-6-16(7-5-14)32(29,30)26-8-10-31-11-9-26/h1-2,4-7,12-13,17-18,21,25H,3,8-11H2,(H,27,28)/t17-,18+,21+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 2.97E+4n/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 family member (pos-1)


(Caenorhabditis elegans)
BDBM42028
PNG
((3aS,4R,9bR)-6-chloranyl-4-(4-morpholin-4-ylsulfon...)
Show SMILES OC(=O)c1cc(Cl)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H23ClN2O5S/c24-20-13-15(23(27)28)12-19-17-2-1-3-18(17)21(25-22(19)20)14-4-6-16(7-5-14)32(29,30)26-8-10-31-11-9-26/h1-2,4-7,12-13,17-18,21,25H,3,8-11H2,(H,27,28)/t17-,18+,21+/m1/s1
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM42028
PNG
((3aS,4R,9bR)-6-chloranyl-4-(4-morpholin-4-ylsulfon...)
Show SMILES OC(=O)c1cc(Cl)c2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H23ClN2O5S/c24-20-13-15(23(27)28)12-19-17-2-1-3-18(17)21(25-22(19)20)14-4-6-16(7-5-14)32(29,30)26-8-10-31-11-9-26/h1-2,4-7,12-13,17-18,21,25H,3,8-11H2,(H,27,28)/t17-,18+,21+/m1/s1
PDB

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PCBioAssay
n/an/an/an/a 729n/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