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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor (MR)' and Ligand = 'BDBM238158'   
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 (MR)


(Homo sapiens (Human))
BDBM238158
PNG
(US9394291, 4)
Show SMILES CNC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238158
PNG
(US9394291, 4)
Show SMILES CNC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 740n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair