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4 similar compounds to monomer 121420

Compile data set for download or QSAR
Wt: 313.7
BDBM121405
Wt: 311.3
BDBM121409
Wt: 313.7
BDBM121413
Wt: 297.2
BDBM121401

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 121405,121409,121413,121401   
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))
BDBM121401
PNG
(US8722709, 4)
Show SMILES NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN5O/c16-11-1-3-12(4-2-11)21-13(6-8-19-21)10-5-7-18-14(9-10)20-15(17)22/h1-9H,(H3,17,18,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 62n/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))
BDBM121405
PNG
(US8722709, 8)
Show SMILES NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccccc1Cl
Show InChI InChI=1S/C15H12ClN5O/c16-11-3-1-2-4-13(11)21-12(6-8-19-21)10-5-7-18-14(9-10)20-15(17)22/h1-9H,(H3,17,18,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 790n/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))
BDBM121413
PNG
(US8722709, 16)
Show SMILES NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN5O/c16-11-1-3-12(4-2-11)21-13(6-8-19-21)10-5-7-18-14(9-10)20-15(17)22/h1-9H,(H3,17,18,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 110n/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))
BDBM121413
PNG
(US8722709, 16)
Show SMILES NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN5O/c16-11-1-3-12(4-2-11)21-13(6-8-19-21)10-5-7-18-14(9-10)20-15(17)22/h1-9H,(H3,17,18,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.40n/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))
BDBM121413
PNG
(US8722709, 16)
Show SMILES NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN5O/c16-11-1-3-12(4-2-11)21-13(6-8-19-21)10-5-7-18-14(9-10)20-15(17)22/h1-9H,(H3,17,18,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 9.40n/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))
BDBM121409
PNG
(US8722709, 12)
Show SMILES Cc1cc(F)ccc1-n1nccc1-c1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C16H14FN5O/c1-10-8-12(17)2-3-13(10)22-14(5-7-20-22)11-4-6-19-15(9-11)21-16(18)23/h2-9H,1H3,(H3,18,19,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 38n/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