BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 585.6
BDBM445038

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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))
BDBM445038
PNG
(US10668167, Compound 48)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)c(N)c2)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C35H39NO7/c1-33-12-11-23(38)15-22(33)8-9-24-25-16-30-35(29(41)18-37,34(25,2)17-28(40)31(24)33)43-32(42-30)21-6-3-19(4-7-21)13-20-5-10-27(39)26(36)14-20/h3-7,10-12,14-15,24-25,28,30-32,37,39-40H,8-9,13,16-18,36H2,1-2H3/t24-,25-,28-,30+,31+,32+,33-,34-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.8n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for glucocorticoid receptor (GR) binding using the Polarscreen™ Glucocorticoid Receptor Assay Kit, Red (ThermoFisher A 15...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM445038
PNG
(US10668167, Compound 48)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)c(N)c2)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C35H39NO7/c1-33-12-11-23(38)15-22(33)8-9-24-25-16-30-35(29(41)18-37,34(25,2)17-28(40)31(24)33)43-32(42-30)21-6-3-19(4-7-21)13-20-5-10-27(39)26(36)14-20/h3-7,10-12,14-15,24-25,28,30-32,37,39-40H,8-9,13,16-18,36H2,1-2H3/t24-,25-,28-,30+,31+,32+,33-,34-,35+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 108n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for progersterone receptor (PR) binding using a modification of the LanthaScreen® TR-FRET Progesterone Receptor Coactivat...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM445038
PNG
(US10668167, Compound 48)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)c(N)c2)cc1 |r,c:13,t:9|
Show InChI InChI=1S/C35H39NO7/c1-33-12-11-23(38)15-22(33)8-9-24-25-16-30-35(29(41)18-37,34(25,2)17-28(40)31(24)33)43-32(42-30)21-6-3-19(4-7-21)13-20-5-10-27(39)26(36)14-20/h3-7,10-12,14-15,24-25,28,30-32,37,39-40H,8-9,13,16-18,36H2,1-2H3/t24-,25-,28-,30+,31+,32+,33-,34-,35+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+4n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Small molecules were tested for estrogen receptor (ER) alpha binding using a modification of the LanthaScreen® TR-FRET Estrogen Receptor Alpha Coacti...


US Patent US10668167 (2020)


BindingDB Entry DOI: 10.7270/Q2B56NSW
More data for this
Ligand-Target Pair