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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50368965'   
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))
BDBM50368965
PNG
(CHEMBL4169100)
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])c1cccc(c1)N(C)C |r,c:17,23|
Show InChI InChI=1S/C32H41NO2/c1-30(2,3)16-17-32(35)15-14-28-26-12-10-22-19-24(34)11-13-25(22)29(26)27(20-31(28,32)4)21-8-7-9-23(18-21)33(5)6/h7-9,18-19,26-28,35H,10-15,20H2,1-6H3/t26-,27+,28-,31-,32+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 205n/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))
BDBM50368965
PNG
(CHEMBL4169100)
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])c1cccc(c1)N(C)C |r,c:17,23|
Show InChI InChI=1S/C32H41NO2/c1-30(2,3)16-17-32(35)15-14-28-26-12-10-22-19-24(34)11-13-25(22)29(26)27(20-31(28,32)4)21-8-7-9-23(18-21)33(5)6/h7-9,18-19,26-28,35H,10-15,20H2,1-6H3/t26-,27+,28-,31-,32+/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