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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' and Ligand = 'BDBM50531565'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50531565
PNG
(CHEMBL4590259)
Show SMILES CNC(=O)C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C21H20FN3O4/c1-23-19(26)10-15-5-2-12-8-14(22)4-6-17(12)25(15)21(28)13-3-7-18-16(9-13)24-20(27)11-29-18/h3-4,6-9,15H,2,5,10-11H2,1H3,(H,23,26)(H,24,27)/t15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
316n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay


J Med Chem 62: 1385-1406 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50531565
PNG
(CHEMBL4590259)
Show SMILES CNC(=O)C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C21H20FN3O4/c1-23-19(26)10-15-5-2-12-8-14(22)4-6-17(12)25(15)21(28)13-3-7-18-16(9-13)24-20(27)11-29-18/h3-4,6-9,15H,2,5,10-11H2,1H3,(H,23,26)(H,24,27)/t15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed in UAS-MR-bla HEK293 cells by luciferase reporter gene assay


J Med Chem 62: 1385-1406 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6
More data for this
Ligand-Target Pair