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BDBM140017 US8901310, Comparator G

SMILES: Cc1c(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)ccc[n+]1[O-]

InChI Key: InChIKey=ORSBFWQUUWUENG-KEKPKEOLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 140017   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM140017
PNG
(US8901310, Comparator G)
Show SMILES Cc1c(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)ccc[n+]1[O-] |r|
Show InChI InChI=1S/C29H29F3N2O3/c1-19-25(8-5-15-34(19)37)33-26(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,33,35)/t23-,27+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 2.13n/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
Interleukin-6


(Homo sapiens (Human))
BDBM140017
PNG
(US8901310, Comparator G)
Show SMILES Cc1c(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)ccc[n+]1[O-] |r|
Show InChI InChI=1S/C29H29F3N2O3/c1-19-25(8-5-15-34(19)37)33-26(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,33,35)/t23-,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.10n/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