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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50368942'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50368942
PNG
(CHEMBL4169408 | US11124537, TABLE 3.15.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(OC)c1 |r,c:17,23|
Show InChI InChI=1S/C33H43NO3/c1-31(2,3)16-17-33(36)15-14-27-25-11-8-21-18-23(35)10-12-24(21)30(25)26(20-32(27,33)4)22-9-13-28(34(5)6)29(19-22)37-7/h9,13,18-19,25-27,36H,8,10-12,14-15,20H2,1-7H3/t25-,26+,27-,32-,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 48n/an/an/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human GR expressed in CHO-K1 cells assessed as reduction in dexamethasone-induced response incubated for 20 hrs by luciferase ...


J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50368942
PNG
(CHEMBL4169408 | US11124537, TABLE 3.15.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(OC)c1 |r,c:17,23|
Show InChI InChI=1S/C33H43NO3/c1-31(2,3)16-17-33(36)15-14-27-25-11-8-21-18-23(35)10-12-24(21)30(25)26(20-32(27,33)4)22-9-13-28(34(5)6)29(19-22)37-7/h9,13,18-19,25-27,36H,8,10-12,14-15,20H2,1-7H3/t25-,26+,27-,32-,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a>100n/an/an/an/an/an/a


TBA

Assay Description
Cell Line: CHO-K1-GR-MMTV-Luc reporter cellsCulture Media: DMEM (with phenol red)+10% FBSAssay Media: DMEM (without phenol red)+10% CSSCulture CHO-K1...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GH9N3R
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50368942
PNG
(CHEMBL4169408 | US11124537, TABLE 3.15.1)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(N(C)C)c(OC)c1 |r,c:17,23|
Show InChI InChI=1S/C33H43NO3/c1-31(2,3)16-17-33(36)15-14-27-25-11-8-21-18-23(35)10-12-24(21)30(25)26(20-32(27,33)4)22-9-13-28(34(5)6)29(19-22)37-7/h9,13,18-19,25-27,36H,8,10-12,14-15,20H2,1-7H3/t25-,26+,27-,32-,33+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a>2.50E+3n/an/an/an/a



ORIC Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GR expressed in CHO-K1 cells incubated for 20 hrs by luciferase reporter gene assay


J Med Chem 61: 7767-7784 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00743
BindingDB Entry DOI: 10.7270/Q2C53PDJ
More data for this
Ligand-Target Pair