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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM140010'   
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))
BDBM140010
PNG
(US8901310, Example 2)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@@](CC[C@@]23Cc2ccccc2)(OP(O)(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 42n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM140010
PNG
(US8901310, Example 2)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@@](CC[C@@]23Cc2ccccc2)(OP(O)(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C29H30F3N2O5P/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(29(30,31)32,39-40(36,37)38)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23H,9,11,13-14,17-18H2,1H3,(H,34,35)(H2,36,37,38)/t23-,27+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 79n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The glucocorticoid receptor fluorescence polarization ligand binding (GRFP) assay is used to evaluate direct binding of testing compounds to full-len...


US Patent US8901310 (2014)


BindingDB Entry DOI: 10.7270/Q2MC8XQM
More data for this
Ligand-Target Pair