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13 similar compounds to monomer 50398058

Compile data set for download or QSAR
Wt: 273.3
BDBM121444
Wt: 259.2
BDBM121421
Wt: 255.3
BDBM121424
Wt: 317.3
BDBM121427
Wt: 269.3
BDBM121428
Wt: 295.3
BDBM121429
Wt: 255.3
BDBM121431
Wt: 281.3
BDBM121432
Wt: 294.3
BDBM121433
Wt: 331.4
BDBM121434
Wt: 255.3
BDBM121436
Wt: 309.2
BDBM121440
Wt: 241.2
BDBM121441

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 121444,121421,121424,121427,121428,121429,121431,121432,121433,121434,121436,121440,121441   
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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121421
PNG
(US8722709, 25)
Show SMILES NC(=O)Nc1cc(CCc2ccc(F)cc2)ccn1
Show InChI InChI=1S/C14H14FN3O/c15-12-5-3-10(4-6-12)1-2-11-7-8-17-13(9-11)18-14(16)19/h3-9H,1-2H2,(H3,16,17,18,19)
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US Patent
n/an/a 30n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121424
PNG
(US8722709, 28)
Show SMILES Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1
Show InChI InChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)6-7-13-8-9-17-14(10-13)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused human MR LBD expressed in HEK293T cells assessed as inhibition of aldosterone-induced transactivation activity afte...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121427
PNG
(US8722709, 31)
Show SMILES NC(=O)Nc1cc(CC(c2ccccc2)c2ccccc2)ccn1
Show InChI InChI=1S/C20H19N3O/c21-20(24)23-19-14-15(11-12-22-19)13-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H3,21,22,23,24)
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US Patent
n/an/a 13n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121428
PNG
(US8722709, 32)
Show SMILES CC(Cc1ccnc(NC(N)=O)c1)c1ccccc1C
Show InChI InChI=1S/C16H19N3O/c1-11-5-3-4-6-14(11)12(2)9-13-7-8-18-15(10-13)19-16(17)20/h3-8,10,12H,9H2,1-2H3,(H3,17,18,19,20)
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US Patent
n/an/a 11n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121429
PNG
(US8722709, 33)
Show SMILES Cc1ccccc1C(Cc1ccnc(NC(N)=O)c1)C1CC1
Show InChI InChI=1S/C18H21N3O/c1-12-4-2-3-5-15(12)16(14-6-7-14)10-13-8-9-20-17(11-13)21-18(19)22/h2-5,8-9,11,14,16H,6-7,10H2,1H3,(H3,19,20,21,22)
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n/an/a 22n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121431
PNG
(US8722709, 35)
Show SMILES CC(Cc1ccnc(NC(N)=O)c1)c1ccccc1
Show InChI InChI=1S/C15H17N3O/c1-11(13-5-3-2-4-6-13)9-12-7-8-17-14(10-12)18-15(16)19/h2-8,10-11H,9H2,1H3,(H3,16,17,18,19)
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US Patent
n/an/a 33n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121432
PNG
(US8722709, 36)
Show SMILES NC(=O)Nc1cc(CC(C2CC2)c2ccccc2)ccn1
Show InChI InChI=1S/C17H19N3O/c18-17(21)20-16-11-12(8-9-19-16)10-15(14-6-7-14)13-4-2-1-3-5-13/h1-5,8-9,11,14-15H,6-7,10H2,(H3,18,19,20,21)
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n/an/a 100n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121433
PNG
(US8722709, 37)
Show SMILES NC(=O)Nc1cc(CC(CCC#N)c2ccccc2)ccn1
Show InChI InChI=1S/C17H18N4O/c18-9-4-7-15(14-5-2-1-3-6-14)11-13-8-10-20-16(12-13)21-17(19)22/h1-3,5-6,8,10,12,15H,4,7,11H2,(H3,19,20,21,22)
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n/an/a 1.80E+3n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121434
PNG
(US8722709, 38)
Show SMILES Cc1ccccc1C(Cc1ccnc(NC(N)=O)c1)c1ccccc1
Show InChI InChI=1S/C21H21N3O/c1-15-7-5-6-10-18(15)19(17-8-3-2-4-9-17)13-16-11-12-23-20(14-16)24-21(22)25/h2-12,14,19H,13H2,1H3,(H3,22,23,24,25)
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US Patent
n/an/a 54n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121436
PNG
(US8722709, 40)
Show SMILES Cc1cccc(CCc2ccnc(NC(N)=O)c2)c1
Show InChI InChI=1S/C15H17N3O/c1-11-3-2-4-12(9-11)5-6-13-7-8-17-14(10-13)18-15(16)19/h2-4,7-10H,5-6H2,1H3,(H3,16,17,18,19)
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US Patent
n/an/a 78n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121440
PNG
(US8722709, 44)
Show SMILES NC(=O)Nc1cc(CCc2ccccc2C(F)(F)F)ccn1
Show InChI InChI=1S/C15H14F3N3O/c16-15(17,18)12-4-2-1-3-11(12)6-5-10-7-8-20-13(9-10)21-14(19)22/h1-4,7-9H,5-6H2,(H3,19,20,21,22)
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US Patent
n/an/a 13n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121441
PNG
(US8722709, 45)
Show SMILES NC(=O)Nc1cc(CCc2ccccc2)ccn1
Show InChI InChI=1S/C14H15N3O/c15-14(18)17-13-10-12(8-9-16-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H3,15,16,17,18)
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US Patent
n/an/a 37n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121444
PNG
(US8722709, 48)
Show SMILES Cc1cc(F)ccc1CCc1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C15H16FN3O/c1-10-8-13(16)5-4-12(10)3-2-11-6-7-18-14(9-11)19-15(17)20/h4-9H,2-3H2,1H3,(H3,17,18,19,20)
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n/an/a 4.70n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121424
PNG
(US8722709, 28)
Show SMILES Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1
Show InChI InChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)6-7-13-8-9-17-14(10-13)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
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n/an/a 480n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from full-length human mineralocorticoid receptor expressed in baculovirus infected insect cells after 60...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121427
PNG
(US8722709, 31)
Show SMILES NC(=O)Nc1cc(CC(c2ccccc2)c2ccccc2)ccn1
Show InChI InChI=1S/C20H19N3O/c21-20(24)23-19-14-15(11-12-22-19)13-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H3,21,22,23,24)
PDB
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n/an/a 44n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused human MR LBD expressed in HEK293T cells assessed as inhibition of aldosterone-induced transactivation activity afte...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121428
PNG
(US8722709, 32)
Show SMILES CC(Cc1ccnc(NC(N)=O)c1)c1ccccc1C
Show InChI InChI=1S/C16H19N3O/c1-11-5-3-4-6-14(11)12(2)9-13-7-8-18-15(10-13)19-16(17)20/h3-8,10,12H,9H2,1-2H3,(H3,17,18,19,20)
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n/an/a 43n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused human MR LBD expressed in HEK293T cells assessed as inhibition of aldosterone-induced transactivation activity afte...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121444
PNG
(US8722709, 48)
Show SMILES Cc1cc(F)ccc1CCc1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C15H16FN3O/c1-10-8-13(16)5-4-12(10)3-2-11-6-7-18-14(9-11)19-15(17)20/h4-9H,2-3H2,1H3,(H3,17,18,19,20)
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n/an/a 31n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Antagonist activity at Gal4-fused human MR LBD expressed in HEK293T cells assessed as inhibition of aldosterone-induced transactivation activity afte...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121427
PNG
(US8722709, 31)
Show SMILES NC(=O)Nc1cc(CC(c2ccccc2)c2ccccc2)ccn1
Show InChI InChI=1S/C20H19N3O/c21-20(24)23-19-14-15(11-12-22-19)13-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,18H,13H2,(H3,21,22,23,24)
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n/an/a 13n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from full-length human mineralocorticoid receptor expressed in baculovirus infected insect cells after 60...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121428
PNG
(US8722709, 32)
Show SMILES CC(Cc1ccnc(NC(N)=O)c1)c1ccccc1C
Show InChI InChI=1S/C16H19N3O/c1-11-5-3-4-6-14(11)12(2)9-13-7-8-18-15(10-13)19-16(17)20/h3-8,10,12H,9H2,1-2H3,(H3,17,18,19,20)
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n/an/a 11n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from full-length human mineralocorticoid receptor expressed in baculovirus infected insect cells after 60...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121444
PNG
(US8722709, 48)
Show SMILES Cc1cc(F)ccc1CCc1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C15H16FN3O/c1-10-8-13(16)5-4-12(10)3-2-11-6-7-18-14(9-11)19-15(17)20/h4-9H,2-3H2,1H3,(H3,17,18,19,20)
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n/an/a 4.70n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled dexamethasone from full-length human mineralocorticoid receptor expressed in baculovirus infected insect cells after 60...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121424
PNG
(US8722709, 28)
Show SMILES Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1
Show InChI InChI=1S/C15H17N3O/c1-11-2-4-12(5-3-11)6-7-13-8-9-17-14(10-13)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
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US Patent
n/an/a 480n/an/an/an/a7.4n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The MR competitive binding assay is based on the binding and displacement of a TAMRA-labeled Dexamethasone probe with fluorescence polarization (FP) ...


US Patent US8722709 (2014)


BindingDB Entry DOI: 10.7270/Q2NS0SJ4
More data for this
Ligand-Target Pair