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BDBM50456008 CHEMBL4216231

SMILES: [H][C@]12CN(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)c1cccc(Cl)c1

InChI Key: InChIKey=DXCRAIDZTZWAOF-QFZGVMIISA-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 = 50456008   
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))
BDBM50456008
PNG
(CHEMBL4216231)
Show SMILES [H][C@]12CN(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)c1cccc(Cl)c1 |r,c:27,t:23|
Show InChI InChI=1S/C29H32ClF2NO4/c1-26-7-6-19(35)10-22(26)23(31)11-21-20-8-16-13-33(18-5-3-4-17(30)9-18)15-28(16,25(37)14-34)27(20,2)12-24(36)29(21,26)32/h3-7,9-10,16,20-21,23-24,34,36H,8,11-15H2,1-2H3/t16-,20-,21-,23-,24-,26-,27-,28+,29-/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))
BDBM50456008
PNG
(CHEMBL4216231)
Show SMILES [H][C@]12CN(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)c1cccc(Cl)c1 |r,c:27,t:23|
Show InChI InChI=1S/C29H32ClF2NO4/c1-26-7-6-19(35)10-22(26)23(31)11-21-20-8-16-13-33(18-5-3-4-17(30)9-18)15-28(16,25(37)14-34)27(20,2)12-24(36)29(21,26)32/h3-7,9-10,16,20-21,23-24,34,36H,8,11-15H2,1-2H3/t16-,20-,21-,23-,24-,26-,27-,28+,29-/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 5.80n/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