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9 similar compounds to monomer 121414

Compile data set for download or QSAR
Wt: 293.3
BDBM121404
Wt: 309.3
BDBM121406
Wt: 293.3
BDBM121411
Wt: 313.7
BDBM121412
Wt: 313.7
BDBM121413
Wt: 309.3
BDBM121415
Wt: 297.2
BDBM121416
Wt: 297.2
BDBM121401
Wt: 279.2
BDBM121402

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 121404,121406,121411,121412,121413,121415,121416,121401,121402   
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))
BDBM121402
PNG
(US8722709, 5)
Show SMILES NC(=O)Nc1cc(ccn1)-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C15H13N5O/c16-15(21)19-14-10-11(6-8-17-14)13-7-9-18-20(13)12-4-2-1-3-5-12/h1-10H,(H3,16,17,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 670n/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))
BDBM121404
PNG
(US8722709, 7)
Show SMILES Cc1ccccc1-n1nccc1-c1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C16H15N5O/c1-11-4-2-3-5-13(11)21-14(7-9-19-21)12-6-8-18-15(10-12)20-16(17)22/h2-10H,1H3,(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 280n/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))
BDBM121406
PNG
(US8722709, 9)
Show SMILES COc1ccccc1-n1nccc1-c1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C16H15N5O2/c1-23-14-5-3-2-4-13(14)21-12(7-9-19-21)11-6-8-18-15(10-11)20-16(17)22/h2-10H,1H3,(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 6.10E+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))
BDBM121411
PNG
(US8722709, 14)
Show SMILES Cc1ccc(cc1)-n1nccc1-c1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C16H15N5O/c1-11-2-4-13(5-3-11)21-14(7-9-19-21)12-6-8-18-15(10-12)20-16(17)22/h2-10H,1H3,(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 14n/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))
BDBM121415
PNG
(US8722709, 18)
Show SMILES COc1ccc(cc1)-n1nccc1-c1ccnc(NC(N)=O)c1
Show InChI InChI=1S/C16H15N5O2/c1-23-13-4-2-12(3-5-13)21-14(7-9-19-21)11-6-8-18-15(10-11)20-16(17)22/h2-10H,1H3,(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 25n/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))
BDBM121416
PNG
(US8722709, 19)
Show SMILES NC(=O)Nc1cc(ccn1)-c1ccnn1-c1cccc(F)c1
Show InChI InChI=1S/C15H12FN5O/c16-11-2-1-3-12(9-11)21-13(5-7-19-21)10-4-6-18-14(8-10)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 310n/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))
BDBM121412
PNG
(US8722709, 15)
Show SMILES NC(=O)Nc1cc(ccn1)-c1ccnn1-c1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClN5O/c16-11-2-1-3-12(9-11)21-13(5-7-19-21)10-4-6-18-14(8-10)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 190n/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