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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM141386'   
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))
BDBM141386
PNG
(US8916600, 20 | US9738632, Example 20)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C32H30F2N4O7/c1-18(36-31(41)32(2,33)34)28(19-6-9-26-27(16-19)43-13-12-42-26)45-23-7-8-25-21(15-23)17-35-38(25)22-5-3-4-20(14-22)29(39)37-24-10-11-44-30(24)40/h3-9,14-18,24,28H,10-13H2,1-2H3,(H,36,41)(H,37,39)/t18-,24+,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.96n/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))
BDBM141386
PNG
(US8916600, 20 | US9738632, Example 20)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C32H30F2N4O7/c1-18(36-31(41)32(2,33)34)28(19-6-9-26-27(16-19)43-13-12-42-26)45-23-7-8-25-21(15-23)17-35-38(25)22-5-3-4-20(14-22)29(39)37-24-10-11-44-30(24)40/h3-9,14-18,24,28H,10-13H2,1-2H3,(H,36,41)(H,37,39)/t18-,24+,28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.96n/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