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2 similar compounds to monomer 140010

Compile data set for download or QSAR
Wt: 494.5
BDBM140009
Purchase
Wt: 476.5
BDBM140018

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 140009,140018   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-6


(Homo sapiens (Human))
BDBM140018
PNG
(US8901310, Comparator H)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)F)c1
Show InChI InChI=1S/C29H30F2N2O2/c1-19-25(8-5-15-32-19)33-26(34)22-10-12-24-21(16-22)9-11-23-18-29(35,27(30)31)14-13-28(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,27,35H,9,11,13-14,17-18H2,1H3,(H,33,34)/t23-,28+,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.30n/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))
BDBM140018
PNG
(US8901310, Comparator H)
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)F)c1
Show InChI InChI=1S/C29H30F2N2O2/c1-19-25(8-5-15-32-19)33-26(34)22-10-12-24-21(16-22)9-11-23-18-29(35,27(30)31)14-13-28(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,27,35H,9,11,13-14,17-18H2,1H3,(H,33,34)/t23-,28+,29-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.03n/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))
BDBM140009
PNG
(US8901310, Example 1 )
Show SMILES Cc1ncccc1NC(=O)c1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C(F)(F)F)c1
Show InChI InChI=1S/C29H29F3N2O2/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35)/t23-,27+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.31n/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