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4 similar compounds to monomer 121425

Compile data set for download or QSAR
Wt: 255.3
BDBM121424
Wt: 275.2
BDBM121426
Wt: 271.3
BDBM121430
Wt: 241.2
BDBM121441

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 121424,121426,121430,121441   
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))
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM121426
PNG
(US8722709, 30)
Show SMILES NC(=O)Nc1cc(CC(O)c2cccc(F)c2)ccn1
Show InChI InChI=1S/C14H14FN3O2/c15-11-3-1-2-10(8-11)12(19)6-9-4-5-17-13(7-9)18-14(16)20/h1-5,7-8,12,19H,6H2,(H3,16,17,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
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))
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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))
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
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))
BDBM121430
PNG
(US8722709, 34)
Show SMILES CC(O)(Cc1ccnc(NC(N)=O)c1)c1ccccc1
Show InChI InChI=1S/C15H17N3O2/c1-15(20,12-5-3-2-4-6-12)10-11-7-8-17-13(9-11)18-14(16)19/h2-9,20H,10H2,1H3,(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 6.80E+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