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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50440500'   
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))
BDBM50440500
PNG
(CHEMBL2426141)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(c1)C#N)C(=O)Nc1nccs1
Show InChI InChI=1S/C28H23N5OS/c1-28(2,26(34)32-27-30-13-14-35-27)24(20-8-4-3-5-9-20)22-11-12-23-25(31-18-33(23)17-22)21-10-6-7-19(15-21)16-29/h3-15,17-18,24H,1-2H3,(H,30,32,34)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440500
PNG
(CHEMBL2426141)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(c1)C#N)C(=O)Nc1nccs1
Show InChI InChI=1S/C28H23N5OS/c1-28(2,26(34)32-27-30-13-14-35-27)24(20-8-4-3-5-9-20)22-11-12-23-25(31-18-33(23)17-22)21-10-6-7-19(15-21)16-29/h3-15,17-18,24H,1-2H3,(H,30,32,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation of GR-LBD expressed in human HeLa cells co-expressing GAL4-DBD by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50440500
PNG
(CHEMBL2426141)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1cccc(c1)C#N)C(=O)Nc1nccs1
Show InChI InChI=1S/C28H23N5OS/c1-28(2,26(34)32-27-30-13-14-35-27)24(20-8-4-3-5-9-20)22-11-12-23-25(31-18-33(23)17-22)21-10-6-7-19(15-21)16-29/h3-15,17-18,24H,1-2H3,(H,30,32,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 225n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression of glucocorticoid receptor in human A549 cells assessed as inhibition of PMA-induced AP-1 activity by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 5571-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.049
BindingDB Entry DOI: 10.7270/Q2QC04Z4
More data for this
Ligand-Target Pair