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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50381744'   
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))
BDBM50381744
PNG
(CHEMBL2023620)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5-c3ccc(F)cc3)[C@@H]1CC[C@]2(O)C(=O)CSc1ncccn1 |r,t:9|
Show InChI InChI=1S/C32H35FN4O3S/c1-30-15-19-17-36-37(22-7-5-21(33)6-8-22)25(19)14-20(30)4-9-23-24-10-11-32(40,31(24,2)16-26(38)28(23)30)27(39)18-41-29-34-12-3-13-35-29/h3,5-8,12-14,17,23-24,26,28,38,40H,4,9-11,15-16,18H2,1-2H3/t23-,24-,26-,28+,30-,31-,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor in human H292 cells assessed as inhibition of TNF-induced IL8 production


Bioorg Med Chem Lett 22: 3291-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.015
BindingDB Entry DOI: 10.7270/Q2V69KMZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(RAT)
BDBM50381744
PNG
(CHEMBL2023620)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5-c3ccc(F)cc3)[C@@H]1CC[C@]2(O)C(=O)CSc1ncccn1 |r,t:9|
Show InChI InChI=1S/C32H35FN4O3S/c1-30-15-19-17-36-37(22-7-5-21(33)6-8-22)25(19)14-20(30)4-9-23-24-10-11-32(40,31(24,2)16-26(38)28(23)30)27(39)18-41-29-34-12-3-13-35-29/h3,5-8,12-14,17,23-24,26,28,38,40H,4,9-11,15-16,18H2,1-2H3/t23-,24-,26-,28+,30-,31-,32-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14.3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in rat H4II-E cells assessed as induction of tyrosineaminotransferase


Bioorg Med Chem Lett 22: 3291-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.015
BindingDB Entry DOI: 10.7270/Q2V69KMZ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50381744
PNG
(CHEMBL2023620)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5c(C[C@]34C)cnn5-c3ccc(F)cc3)[C@@H]1CC[C@]2(O)C(=O)CSc1ncccn1 |r,t:9|
Show InChI InChI=1S/C32H35FN4O3S/c1-30-15-19-17-36-37(22-7-5-21(33)6-8-22)25(19)14-20(30)4-9-23-24-10-11-32(40,31(24,2)16-26(38)28(23)30)27(39)18-41-29-34-12-3-13-35-29/h3,5-8,12-14,17,23-24,26,28,38,40H,4,9-11,15-16,18H2,1-2H3/t23-,24-,26-,28+,30-,31-,32-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 37.7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation activity at glucocorticoid receptor in human HepG2 cells assessed as induction of tyrosineaminotransferase


Bioorg Med Chem Lett 22: 3291-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.015
BindingDB Entry DOI: 10.7270/Q2V69KMZ
More data for this
Ligand-Target Pair