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SMILES: C[C@@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

InChI Key: InChIKey=MXEOXTXWJGNBGH-RNCXWHAWSA-N

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 4 hits for monomerid = 445028   
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))
BDBM445028
PNG
(US10668167, Compound 36)
Show SMILES C[C@@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
Show InChI InChI=1S/C36H39F2NO6/c1-19(21-8-10-23(39)11-9-21)20-4-6-22(7-5-20)32-44-31-16-25-26-15-28(37)27-14-24(41)12-13-33(27,2)35(26,38)29(42)17-34(25,3)36(31,45-32)30(43)18-40/h4-14,19,25-26,28-29,31-32,40,42H,15-18,39H2,1-3H3/t19-,25+,26+,28+,29+,31-,32-,33+,34+,35+,36-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/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
Androgen receptor


(Homo sapiens (Human))
BDBM445028
PNG
(US10668167, Compound 36)
Show SMILES C[C@@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
Show InChI InChI=1S/C36H39F2NO6/c1-19(21-8-10-23(39)11-9-21)20-4-6-22(7-5-20)32-44-31-16-25-26-15-28(37)27-14-24(41)12-13-33(27,2)35(26,38)29(42)17-34(25,3)36(31,45-32)30(43)18-40/h4-14,19,25-26,28-29,31-32,40,42H,15-18,39H2,1-3H3/t19-,25+,26+,28+,29+,31-,32-,33+,34+,35+,36-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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 androgen receptor (AR) binding using a modification of the LanthaScreen® TR-FRET Androgen Receptor Coactivator Assay ...


US Patent US10668167 (2020)


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


(Homo sapiens (Human))
BDBM445028
PNG
(US10668167, Compound 36)
Show SMILES C[C@@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
Show InChI InChI=1S/C36H39F2NO6/c1-19(21-8-10-23(39)11-9-21)20-4-6-22(7-5-20)32-44-31-16-25-26-15-28(37)27-14-24(41)12-13-33(27,2)35(26,38)29(42)17-34(25,3)36(31,45-32)30(43)18-40/h4-14,19,25-26,28-29,31-32,40,42H,15-18,39H2,1-3H3/t19-,25+,26+,28+,29+,31-,32-,33+,34+,35+,36-/m1/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
Progesterone receptor


(Homo sapiens (Human))
BDBM445028
PNG
(US10668167, Compound 36)
Show SMILES C[C@@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
Show InChI InChI=1S/C36H39F2NO6/c1-19(21-8-10-23(39)11-9-21)20-4-6-22(7-5-20)32-44-31-16-25-26-15-28(37)27-14-24(41)12-13-33(27,2)35(26,38)29(42)17-34(25,3)36(31,45-32)30(43)18-40/h4-14,19,25-26,28-29,31-32,40,42H,15-18,39H2,1-3H3/t19-,25+,26+,28+,29+,31-,32-,33+,34+,35+,36-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 52n/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