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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM141377'   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141377
PNG
(US8916600, 11 | US9738632, Example 11)
Show SMILES CC[C@@H](O)CNC(=O)c1cccc(c1)-n1ncc2cc(O[C@@H]([C@H](C)NC(=O)C(C)(F)F)c3ccc4COCOc4c3)ccc12
Show InChI InChI=1S/C32H34F2N4O6/c1-4-25(39)16-35-30(40)21-6-5-7-24(12-21)38-27-11-10-26(13-23(27)15-36-38)44-29(19(2)37-31(41)32(3,33)34)20-8-9-22-17-42-18-43-28(22)14-20/h5-15,19,25,29,39H,4,16-18H2,1-3H3,(H,35,40)(H,37,41)/t19-,25+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.15n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141377
PNG
(US8916600, 11 | US9738632, Example 11)
Show SMILES CC[C@@H](O)CNC(=O)c1cccc(c1)-n1ncc2cc(O[C@@H]([C@H](C)NC(=O)C(C)(F)F)c3ccc4COCOc4c3)ccc12
Show InChI InChI=1S/C32H34F2N4O6/c1-4-25(39)16-35-30(40)21-6-5-7-24(12-21)38-27-11-10-26(13-23(27)15-36-38)44-29(19(2)37-31(41)32(3,33)34)20-8-9-22-17-42-18-43-28(22)14-20/h5-15,19,25,29,39H,4,16-18H2,1-3H3,(H,35,40)(H,37,41)/t19-,25+,29-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.15n/an/an/an/a7.425



Astrazeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 uM. ...


US Patent US8916600 (2014)


BindingDB Entry DOI: 10.7270/Q2WQ02HG
More data for this
Ligand-Target Pair