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BDBM121424 US8722709, 28

SMILES: Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1

InChI Key: InChIKey=ZYQAKTAYDKFIMU-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 121424   
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))
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))
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