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PubMed code 17583952

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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))
BDBM50216277
PNG
(4,4'-((1R,2R,3S,4S)-3,4-dimethylcyclobutane-1,2-di...)
Show SMILES COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12-,19-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay


J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216279
PNG
(CHEMBL388363 | di-O-methylendiandrin A)
Show SMILES COc1ccc(cc1OC)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H28O4/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14-,21-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay


J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216278
PNG
(CHEMBL228326 | nectandrin B)
Show SMILES COc1cc(ccc1O)[C@H]1O[C@H]([C@H](C)[C@@H]1C)c1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+
PDB

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CHEMBL
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Article
PubMed
n/an/a 2.70E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay


J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216280
PNG
(CHEMBL228655 | di-O-acetylendiandrin A)
Show SMILES COc1cc(ccc1OC(C)=O)[C@@H]1[C@@H](C)[C@H](C)[C@H]1c1ccc(OC(C)=O)c(OC)c1
Show InChI InChI=1S/C24H28O6/c1-13-14(2)24(18-8-10-20(30-16(4)26)22(12-18)28-6)23(13)17-7-9-19(29-15(3)25)21(11-17)27-5/h7-14,23-24H,1-6H3/t13-,14-,23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay


J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216276
PNG
((-)-dihydroguaiaretic acid | 4,4'-((2R,3R)-2,3-dim...)
Show SMILES COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay


J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%