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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50197426'   
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))
BDBM50197426
PNG
(5-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCC(O)=O |c:18,t:11|
Show InChI InChI=1S/C33H41NO4/c1-4-17-33(38)18-16-29-27-14-10-23-20-25(35)13-15-26(23)31(27)28(21-32(29,33)2)22-8-11-24(12-9-22)34(3)19-6-5-7-30(36)37/h8-9,11-12,20,27-29,38H,5-7,10,13-16,18-19,21H2,1-3H3,(H,36,37)/t27-,28+,29-,32-,33-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of radiolabeled Dexamethasone from human GR


Bioorg Med Chem Lett 17: 40-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50197426
PNG
(5-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCC(O)=O |c:18,t:11|
Show InChI InChI=1S/C33H41NO4/c1-4-17-33(38)18-16-29-27-14-10-23-20-25(35)13-15-26(23)31(27)28(21-32(29,33)2)22-8-11-24(12-9-22)34(3)19-6-5-7-30(36)37/h8-9,11-12,20,27-29,38H,5-7,10,13-16,18-19,21H2,1-3H3,(H,36,37)/t27-,28+,29-,32-,33-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GR expressed in hGRAF cells


Bioorg Med Chem Lett 17: 40-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50197426
PNG
(5-{[4-((9S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCC(O)=O |c:18,t:11|
Show InChI InChI=1S/C33H41NO4/c1-4-17-33(38)18-16-29-27-14-10-23-20-25(35)13-15-26(23)31(27)28(21-32(29,33)2)22-8-11-24(12-9-22)34(3)19-6-5-7-30(36)37/h8-9,11-12,20,27-29,38H,5-7,10,13-16,18-19,21H2,1-3H3,(H,36,37)/t27-,28+,29-,32-,33-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
127n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GR transcriptional activation by HepTAT cells


Bioorg Med Chem Lett 17: 40-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.10.001
BindingDB Entry DOI: 10.7270/Q2DR2W9G
More data for this
Ligand-Target Pair