BindingDB logo
myBDB logout

BDBM50455950 CHEMBL4206713

SMILES: [H][C@]12CN(Cc3cccc(C)c3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2

InChI Key: InChIKey=OUEYGLPUUWNHEZ-MIWRREBKSA-N

Data: 1 KI  1 EC50

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 = 50455950   
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))
BDBM50455950
PNG
(CHEMBL4206713)
Show SMILES [H][C@]12CN(Cc3cccc(C)c3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32|
Show InChI InChI=1S/C31H37F2NO4/c1-18-5-4-6-19(9-18)14-34-15-20-10-22-23-12-25(32)24-11-21(36)7-8-28(24,2)31(23,33)26(37)13-29(22,3)30(20,17-34)27(38)16-35/h4-9,11,20,22-23,25-26,35,37H,10,12-17H2,1-3H3/t20-,22-,23-,25-,26-,28-,29-,30+,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in insect cells after 24 hrs by scintillation proximity as...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50455950
PNG
(CHEMBL4206713)
Show SMILES [H][C@]12CN(Cc3cccc(C)c3)C[C@@]1(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3(F)[C@@]([H])(C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@]1([H])C2 |r,c:36,t:32|
Show InChI InChI=1S/C31H37F2NO4/c1-18-5-4-6-19(9-18)14-34-15-20-10-22-23-12-25(32)24-11-21(36)7-8-28(24,2)31(23,33)26(37)13-29(22,3)30(20,17-34)27(38)16-35/h4-9,11,20,22-23,25-26,35,37H,10,12-17H2,1-3H3/t20-,22-,23-,25-,26-,28-,29-,30+,31-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 11n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Induction of nuclear translocation of human recombinant ProLabel-tagged glucocorticoid receptor expressed in CHO-K1 cells after 3 hrs by luminescence...


J Med Chem 61: 4757-4773 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01873
BindingDB Entry DOI: 10.7270/Q2JS9T19
More data for this
Ligand-Target Pair