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SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1

InChI Key: InChIKey=QZQDZOOHRIJKQN-LZZYNOKFSA-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 = 445041   
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))
BDBM445041
PNG
(US10668167, Compound 51)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO8/c1-31-10-9-19(39)12-23(31)24(35)13-22-21-14-29-34(28(42)16-38,32(21,2)15-27(41)33(22,31)36)45-30(44-29)17-3-8-26(25(40)11-17)43-20-6-4-18(37)5-7-20/h3-12,21-22,24,27,29-30,38,40-41H,13-16,37H2,1-2H3/t21-,22-,24-,27-,29+,30+,31-,32-,33-,34+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/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))
BDBM445041
PNG
(US10668167, Compound 51)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO8/c1-31-10-9-19(39)12-23(31)24(35)13-22-21-14-29-34(28(42)16-38,32(21,2)15-27(41)33(22,31)36)45-30(44-29)17-3-8-26(25(40)11-17)43-20-6-4-18(37)5-7-20/h3-12,21-22,24,27,29-30,38,40-41H,13-16,37H2,1-2H3/t21-,22-,24-,27-,29+,30+,31-,32-,33-,34+/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))
BDBM445041
PNG
(US10668167, Compound 51)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO8/c1-31-10-9-19(39)12-23(31)24(35)13-22-21-14-29-34(28(42)16-38,32(21,2)15-27(41)33(22,31)36)45-30(44-29)17-3-8-26(25(40)11-17)43-20-6-4-18(37)5-7-20/h3-12,21-22,24,27,29-30,38,40-41H,13-16,37H2,1-2H3/t21-,22-,24-,27-,29+,30+,31-,32-,33-,34+/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
Progesterone receptor


(Homo sapiens (Human))
BDBM445041
PNG
(US10668167, Compound 51)
Show SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
Show InChI InChI=1S/C34H35F2NO8/c1-31-10-9-19(39)12-23(31)24(35)13-22-21-14-29-34(28(42)16-38,32(21,2)15-27(41)33(22,31)36)45-30(44-29)17-3-8-26(25(40)11-17)43-20-6-4-18(37)5-7-20/h3-12,21-22,24,27,29-30,38,40-41H,13-16,37H2,1-2H3/t21-,22-,24-,27-,29+,30+,31-,32-,33-,34+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.6n/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