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Compile Data Set for Download or QSAR

Found 2 hits of ec50 for monomerid = 332669   
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))
BDBM332669
PNG
(US10196374, Example 3)
Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C27H26F4N4O3/c1-15(2)24(33-26(37)27(3,30)31)25(16-9-18(28)12-19(29)10-16)38-21-6-7-22-17(11-21)13-32-35(22)20-5-8-23(36)34(4)14-20/h5-15,24-25H,1-4H3,(H,33,37)/t24-,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.51n/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
A reporter cell line (ChagoK1 18:7:2 s4/GRE) was established by stable transfection of the human bronchogenic carcinoma cell line, ChaGo K1 (ATCC: HT...


US Patent US10196374 (2019)


BindingDB Entry DOI: 10.7270/Q2377BTH
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM332669
PNG
(US10196374, Example 3)
Show SMILES CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C27H26F4N4O3/c1-15(2)24(33-26(37)27(3,30)31)25(16-9-18(28)12-19(29)10-16)38-21-6-7-22-17(11-21)13-32-35(22)20-5-8-23(36)34(4)14-20/h5-15,24-25H,1-4H3,(H,33,37)/t24-,25+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.70n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor (unknown origin) expressed in human ChaGoK1 cells incubated for 24 hrs by beta-galactosidase repo...


J Med Chem 61: 1785-1799 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01690
BindingDB Entry DOI: 10.7270/Q2XK8J5R
More data for this
Ligand-Target Pair