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BDBM323674 US10188667, Example 00015::US10188667, Example 00019::US10188667, Example 00026::US10188667, Example 00029

SMILES: CCCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO

InChI Key: InChIKey=QZOSPDKUQUNWHL-SLPNHVECSA-N

Data: 4 EC50

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 = 323674   
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
Rho GTPase-activating protein 35


(Homo sapiens (Human))
BDBM323674
PNG
(US10188667, Example 00015 | US10188667, Example 00...)
Show SMILES CCCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |r,t:16|
Show InChI InChI=1S/C28H42O6/c1-4-5-6-7-8-24(33)34-28(23(32)17-29)14-12-21-20-10-9-18-15-19(30)11-13-26(18,2)25(20)22(31)16-27(21,28)3/h15,20-22,25,29,31H,4-14,16-17H2,1-3H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 6.04n/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
Glucocorticoid receptor (GR) activation potency was assessed using a HeLa cell line containing the MMTV-bla reporter (MMTV-bla HeLa CELLSENSOR®, Invi...


US Patent US10188667 (2019)


BindingDB Entry DOI: 10.7270/Q24Q7X38
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM323674
PNG
(US10188667, Example 00015 | US10188667, Example 00...)
Show SMILES CCCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |r,t:16|
Show InChI InChI=1S/C28H42O6/c1-4-5-6-7-8-24(33)34-28(23(32)17-29)14-12-21-20-10-9-18-15-19(30)11-13-26(18,2)25(20)22(31)16-27(21,28)3/h15,20-22,25,29,31H,4-14,16-17H2,1-3H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 9.29n/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENS...


US Patent US10188667 (2019)


BindingDB Entry DOI: 10.7270/Q24Q7X38
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM323674
PNG
(US10188667, Example 00015 | US10188667, Example 00...)
Show SMILES CCCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |r,t:16|
Show InChI InChI=1S/C28H42O6/c1-4-5-6-7-8-24(33)34-28(23(32)17-29)14-12-21-20-10-9-18-15-19(30)11-13-26(18,2)25(20)22(31)16-27(21,28)3/h15,20-22,25,29,31H,4-14,16-17H2,1-3H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.27n/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENS...


US Patent US10188667 (2019)


BindingDB Entry DOI: 10.7270/Q24Q7X38
More data for this
Ligand-Target Pair
Rho GTPase-activating protein 35


(Homo sapiens (Human))
BDBM323674
PNG
(US10188667, Example 00015 | US10188667, Example 00...)
Show SMILES CCCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO |r,t:16|
Show InChI InChI=1S/C28H42O6/c1-4-5-6-7-8-24(33)34-28(23(32)17-29)14-12-21-20-10-9-18-15-19(30)11-13-26(18,2)25(20)22(31)16-27(21,28)3/h15,20-22,25,29,31H,4-14,16-17H2,1-3H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>100n/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
Glucocorticoid receptor (GR) activation potency was assessed using a HeLa cell line containing the MMTV-bla reporter (MMTV-bla HeLa CELLSENSOR®, Invi...


US Patent US10188667 (2019)


BindingDB Entry DOI: 10.7270/Q24Q7X38
More data for this
Ligand-Target Pair