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SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1

InChI Key: InChIKey=QLZJETYFHQVNRB-MJHMFWKOSA-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 = 445034   
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))
BDBM445034
PNG
(US10668167, Compound 42)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C35H38FNO6/c1-32-13-12-25(39)16-23(32)10-11-26-27-17-30-35(29(41)19-38,33(27,2)18-28(40)34(26,32)36)43-31(42-30)22-8-6-20(7-9-22)14-21-4-3-5-24(37)15-21/h3-9,12-13,15-16,26-28,30-31,38,40H,10-11,14,17-19,37H2,1-2H3/t26-,27-,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 12.4n/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))
BDBM445034
PNG
(US10668167, Compound 42)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C35H38FNO6/c1-32-13-12-25(39)16-23(32)10-11-26-27-17-30-35(29(41)19-38,33(27,2)18-28(40)34(26,32)36)43-31(42-30)22-8-6-20(7-9-22)14-21-4-3-5-24(37)15-21/h3-9,12-13,15-16,26-28,30-31,38,40H,10-11,14,17-19,37H2,1-2H3/t26-,27-,28-,30+,31+,32-,33-,34-,35+/m0/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))
BDBM445034
PNG
(US10668167, Compound 42)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C35H38FNO6/c1-32-13-12-25(39)16-23(32)10-11-26-27-17-30-35(29(41)19-38,33(27,2)18-28(40)34(26,32)36)43-31(42-30)22-8-6-20(7-9-22)14-21-4-3-5-24(37)15-21/h3-9,12-13,15-16,26-28,30-31,38,40H,10-11,14,17-19,37H2,1-2H3/t26-,27-,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 9.75E+3n/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))
BDBM445034
PNG
(US10668167, Compound 42)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:14,t:10|
Show InChI InChI=1S/C35H38FNO6/c1-32-13-12-25(39)16-23(32)10-11-26-27-17-30-35(29(41)19-38,33(27,2)18-28(40)34(26,32)36)43-31(42-30)22-8-6-20(7-9-22)14-21-4-3-5-24(37)15-21/h3-9,12-13,15-16,26-28,30-31,38,40H,10-11,14,17-19,37H2,1-2H3/t26-,27-,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 87.3n/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