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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM332676'   
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))
BDBM332676
PNG
(US10196374, Example 4)
Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C26H23F5N4O3/c1-14(2)23(33-25(37)26(29,30)31)24(15-8-17(27)11-18(28)9-15)38-20-5-6-21-16(10-20)12-32-35(21)19-4-7-22(36)34(3)13-19/h4-14,23-24H,1-3H3,(H,33,37)/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.58n/an/an/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 celline, ChaGo K1 (ATCC: HTB ...


US Patent US10196374 (2019)


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


(Homo sapiens (Human))
BDBM332676
PNG
(US10196374, Example 4)
Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C26H23F5N4O3/c1-14(2)23(33-25(37)26(29,30)31)24(15-8-17(27)11-18(28)9-15)38-20-5-6-21-16(10-20)12-32-35(21)19-4-7-22(36)34(3)13-19/h4-14,23-24H,1-3H3,(H,33,37)/t23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2n/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