BindingDB logo
myBDB logout

null

SMILES: Cc1cnc(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)c(C)n1

InChI Key: InChIKey=VLRUOHNPKMZQHN-KEKPKEOLSA-N

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 = 140012   
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))
BDBM140012
PNG
(US8901310, Comparator B)
Show SMILES Cc1cnc(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)c(C)n1 |r|
Show InChI InChI=1S/C29H30F3N3O2/c1-18-17-33-25(19(2)34-18)35-26(36)22-9-11-24-21(14-22)8-10-23-16-28(37,29(30,31)32)13-12-27(23,24)15-20-6-4-3-5-7-20/h3-7,9,11,14,17,23,37H,8,10,12-13,15-16H2,1-2H3,(H,33,35,36)/t23-,27+,28-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.350n/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))
BDBM140012
PNG
(US8901310, Comparator B)
Show SMILES Cc1cnc(NC(=O)c2ccc3c(CC[C@@H]4C[C@](O)(CC[C@@]34Cc3ccccc3)C(F)(F)F)c2)c(C)n1 |r|
Show InChI InChI=1S/C29H30F3N3O2/c1-18-17-33-25(19(2)34-18)35-26(36)22-9-11-24-21(14-22)8-10-23-16-28(37,29(30,31)32)13-12-27(23,24)15-20-6-4-3-5-7-20/h3-7,9,11,14,17,23,37H,8,10,12-13,15-16H2,1-2H3,(H,33,35,36)/t23-,27+,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/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