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11 similar compounds to monomer 121421

Compile data set for download or QSAR
Wt: 273.3
BDBM121444
Wt: 327.2
BDBM121445
Wt: 313.3
BDBM121453
Wt: 259.2
BDBM121422
Wt: 255.3
BDBM121424
Wt: 317.3
BDBM121427
Wt: 255.3
BDBM121431
Wt: 255.3
BDBM121436
Wt: 259.2
BDBM121439
Wt: 241.2
BDBM121441
Wt: 255.3
BDBM50398058

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 121444,121445,121453,121422,121424,121427,121431,121436,121439,121441,50398058   
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))
BDBM50398058
PNG
(CHEMBL2181933 | US8722709, 24)
Show SMILES Cc1ccccc1CCc1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C15H17N3O/c1-11-4-2-3-5-13(11)7-6-12-8-9-17-14(10-12)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
PDB
MMDB

KEGG

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US Patent
n/an/a 7.10n/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))
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/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))
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))
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))
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))
BDBM121439
PNG
(US8722709, 43)
Show SMILES NC(=O)Nc1cc(CCc2ccccc2F)ccn1
Show InChI InChI=1S/C14H14FN3O/c15-12-4-2-1-3-11(12)6-5-10-7-8-17-13(9-10)18-14(16)19/h1-4,7-9H,5-6H2,(H3,16,17,18,19)
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n/an/a 76n/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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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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US Patent
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))
BDBM121445
PNG
(US8722709, 49)
Show SMILES NC(=O)Nc1cc(CCc2ccc(F)c(c2)C(F)(F)F)ccn1
Show InChI InChI=1S/C15H13F4N3O/c16-12-4-3-9(7-11(12)15(17,18)19)1-2-10-5-6-21-13(8-10)22-14(20)23/h3-8H,1-2H2,(H3,20,21,22,23)
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US Patent
n/an/a 330n/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))
BDBM121453
PNG
(US8722709, 57)
Show SMILES NC(=O)Nc1cc(ccn1)C1CCCCC1c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3O/c19-14-7-5-12(6-8-14)15-3-1-2-4-16(15)13-9-10-21-17(11-13)22-18(20)23/h5-11,15-16H,1-4H2,(H3,20,21,22,23)
PDB
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US Patent
n/an/a 270n/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))
BDBM50398058
PNG
(CHEMBL2181933 | US8722709, 24)
Show SMILES Cc1ccccc1CCc1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C15H17N3O/c1-11-4-2-3-5-13(11)7-6-12-8-9-17-14(10-12)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
PDB
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Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of TAMRA-labeled Dexamethasone from human mineralocorticoid receptor expressed in baculovirus infected insect cell lysate after 60 mins ...


J Med Chem 55: 7957-66 (2012)


Article DOI: 10.1021/jm300806c
BindingDB Entry DOI: 10.7270/Q2QC04N3
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50398058
PNG
(CHEMBL2181933 | US8722709, 24)
Show SMILES Cc1ccccc1CCc1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C15H17N3O/c1-11-4-2-3-5-13(11)7-6-12-8-9-17-14(10-12)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
PDB
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive antagonist activity at human mineralocorticoid receptor expressed in MR-UAS-bla HEK 293T cells assessed as inhibition of aldosterone-indu...


J Med Chem 55: 7957-66 (2012)


Article DOI: 10.1021/jm300806c
BindingDB Entry DOI: 10.7270/Q2QC04N3
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50398058
PNG
(CHEMBL2181933 | US8722709, 24)
Show SMILES Cc1ccccc1CCc1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C15H17N3O/c1-11-4-2-3-5-13(11)7-6-12-8-9-17-14(10-12)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
PDB
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n/an/a 7.10n/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)
PDB
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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))
BDBM50398058
PNG
(CHEMBL2181933 | US8722709, 24)
Show SMILES Cc1ccccc1CCc1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C15H17N3O/c1-11-4-2-3-5-13(11)7-6-12-8-9-17-14(10-12)18-15(16)19/h2-5,8-10H,6-7H2,1H3,(H3,16,17,18,19)
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n/an/a 19n/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 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))
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))
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))
BDBM121422
PNG
(US8722709, 26)
Show SMILES NC(=O)Nc1cc(CCc2cccc(F)c2)ccn1
Show InChI InChI=1S/C14H14FN3O/c15-12-3-1-2-10(8-12)4-5-11-6-7-17-13(9-11)18-14(16)19/h1-3,6-9H,4-5H2,(H3,16,17,18,19)
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US Patent
n/an/a 86n/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