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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50340672'   
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))
BDBM50340672
PNG
(5,7-difluoro-6-(1H-indol-7-yl)-2,2-dimethyl-2,3-di...)
Show SMILES CO\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |(14.42,-7.34,;14.41,-8.88,;13.08,-9.64,;13.07,-11.17,;14.4,-11.96,;14.39,-13.5,;15.71,-12.72,;15.71,-14.26,;13.04,-14.26,;11.72,-13.48,;10.39,-14.23,;9.07,-13.46,;7.74,-14.23,;9.08,-11.93,;10.4,-11.16,;10.41,-9.62,;11.73,-11.94,;7.75,-11.15,;7.75,-9.61,;6.41,-8.83,;5.08,-9.61,;5.08,-11.15,;3.93,-12.18,;4.56,-13.59,;6.09,-13.43,;6.41,-11.92,)|
Show InChI InChI=1S/C20H19F2N3O/c1-20(2)10-15(25-26-3)17-14(24-20)9-13(21)16(18(17)22)12-6-4-5-11-7-8-23-19(11)12/h4-9,23-24H,10H2,1-3H3/b25-15+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dexamethasone from glucocorticoid receptor expressed in baculovirus


Bioorg Med Chem Lett 21: 1654-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.104
BindingDB Entry DOI: 10.7270/Q21V5F8D
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50340672
PNG
(5,7-difluoro-6-(1H-indol-7-yl)-2,2-dimethyl-2,3-di...)
Show SMILES CO\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |(14.42,-7.34,;14.41,-8.88,;13.08,-9.64,;13.07,-11.17,;14.4,-11.96,;14.39,-13.5,;15.71,-12.72,;15.71,-14.26,;13.04,-14.26,;11.72,-13.48,;10.39,-14.23,;9.07,-13.46,;7.74,-14.23,;9.08,-11.93,;10.4,-11.16,;10.41,-9.62,;11.73,-11.94,;7.75,-11.15,;7.75,-9.61,;6.41,-8.83,;5.08,-9.61,;5.08,-11.15,;3.93,-12.18,;4.56,-13.59,;6.09,-13.43,;6.41,-11.92,)|
Show InChI InChI=1S/C20H19F2N3O/c1-20(2)10-15(25-26-3)17-14(24-20)9-13(21)16(18(17)22)12-6-4-5-11-7-8-23-19(11)12/h4-9,23-24H,10H2,1-3H3/b25-15+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of TNFalpha/IL1beta-stimulated NFkappaB-dependent E-s...


Bioorg Med Chem Lett 21: 1654-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.104
BindingDB Entry DOI: 10.7270/Q21V5F8D
More data for this
Ligand-Target Pair