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6 similar compounds to monomer 121444

Compile data set for download or QSAR
Wt: 313.3
BDBM121453
Wt: 259.2
BDBM121421
Wt: 259.2
BDBM121422
Wt: 269.3
BDBM121428
Wt: 259.2
BDBM121439
Wt: 255.3
BDBM50398058

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 121453,121421,121422,121428,121439,50398058   
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

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
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))
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

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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))
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

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
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))
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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