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5 similar compounds to monomer 50336276

Compile data set for download or QSAR
Wt: 376.4
BDBM50336274
Wt: 334.3
BDBM50336275
Wt: 348.3
BDBM50336277
Wt: 362.4
BDBM50336278
Wt: 390.4
BDBM50336282

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50336274,50336275,50336277,50336278,50336282   
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))
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ERalpha ligand binding domain expressed in HEK293T cells


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336275
PNG
(1-oxo-1,3,4,5,6,7,8,9-octahydrobenzo[c][1]oxacyclo...)
Show SMILES CC(=O)Oc1cc2CCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C18H22O6/c1-12(19)23-15-10-14-8-6-4-3-5-7-9-22-18(21)17(14)16(11-15)24-13(2)20/h10-11H,3-9H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336277
PNG
(1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxa...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C19H24O6/c1-13(20)24-16-11-15-9-7-5-3-4-6-8-10-23-19(22)18(15)17(12-16)25-14(2)21/h11-12H,3-10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.11E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336282
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES CCC(=O)Oc1cc2CCCCCCC[C@@H](C)OC(=O)c2c(OC(=O)CC)c1
Show InChI InChI=1S/C22H30O6/c1-4-19(23)27-17-13-16-12-10-8-6-7-9-11-15(3)26-22(25)21(16)18(14-17)28-20(24)5-2/h13-15H,4-12H2,1-3H3/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.17E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.22E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of progesterone receptor ligand binding domain expressed in HEK293T cells


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50336278
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OC(C)=O)cc(OC(C)=O)c2C(=O)O1
Show InChI InChI=1S/C20H26O6/c1-13-9-7-5-4-6-8-10-16-11-17(25-14(2)21)12-18(26-15(3)22)19(16)20(23)24-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.36E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ERalpha ligand binding domain expressed in HEK293T cells


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336278
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OC(C)=O)cc(OC(C)=O)c2C(=O)O1
Show InChI InChI=1S/C20H26O6/c1-13-9-7-5-4-6-8-10-16-11-17(25-14(2)21)12-18(26-15(3)22)19(16)20(23)24-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.78E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair