BindingDB logo
myBDB logout

BDBM50398058 CHEMBL2181933::US8722709, 24

SMILES: Cc1ccccc1CCc1ccnc(NC(N)=O)c1

InChI Key: InChIKey=MOTDSKKJECQMDW-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 = 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 (MR)


(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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 7.10n/an/an/an/an/an/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 (MR)


(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
AffyNet 
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 (MR)


(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
AffyNet 
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