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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM50355721'   
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))
BDBM50355721
PNG
(CHEMBL1911285)
Show SMILES CN(C)C(=O)c1cnc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H24N6O3S/c1-26(2,24(34)30-25-31-29-14-36-25)21-17-7-5-6-8-19(17)35-20-11-15(9-10-18(20)21)22-27-12-16(13-28-22)23(33)32(3)4/h5-14,21H,1-4H3,(H,30,31,34)
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KEGG

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PC sid
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Article
PubMed
4.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Displacement of GS-red from glucocorticoid receptor by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355721
PNG
(CHEMBL1911285)
Show SMILES CN(C)C(=O)c1cnc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H24N6O3S/c1-26(2,24(34)30-25-31-29-14-36-25)21-17-7-5-6-8-19(17)35-20-11-15(9-10-18(20)21)22-27-12-16(13-28-22)23(33)32(3)4/h5-14,21H,1-4H3,(H,30,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 592n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at GR-alpha in human NP1 Hela cells assessed as inhibition of GAL4-DBD after 20 hrs by luciferase reporter gene assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355721
PNG
(CHEMBL1911285)
Show SMILES CN(C)C(=O)c1cnc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H24N6O3S/c1-26(2,24(34)30-25-31-29-14-36-25)21-17-7-5-6-8-19(17)35-20-11-15(9-10-18(20)21)22-27-12-16(13-28-22)23(33)32(3)4/h5-14,21H,1-4H3,(H,30,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 596n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transactivation activity at GR-alpha in human NP1 Hela cells assessed as induction of GAL4-DBD after 20 hrs by luciferase reporter gene assay


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50355721
PNG
(CHEMBL1911285)
Show SMILES CN(C)C(=O)c1cnc(nc1)-c1ccc2C(c3ccccc3Oc2c1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H24N6O3S/c1-26(2,24(34)30-25-31-29-14-36-25)21-17-7-5-6-8-19(17)35-20-11-15(9-10-18(20)21)22-27-12-16(13-28-22)23(33)32(3)4/h5-14,21H,1-4H3,(H,30,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 183n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Transrepression activity at glucocorticoid receptor alpha in phorbol myristate acetate-stimulated human A549 cells assessed as inhibition of AP1 resp...


J Med Chem 54: 7318-33 (2011)


Article DOI: 10.1021/jm200879j
BindingDB Entry DOI: 10.7270/Q2W0969M
More data for this
Ligand-Target Pair