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BDBM50014541 CHEMBL3261409

SMILES: C[C@@H](CNc1cccc2n(ncc12)-c1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C

InChI Key: InChIKey=PIUWNHSAIGGEMZ-NRFANRHFSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50014541   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014541
PNG
(CHEMBL3261409)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C26H30N4O2S/c1-17-8-6-9-22(14-17)30-25-11-7-10-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)12-18(2)13-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human Chago K1 cells assessed as gene transrepression by Lac-Z reporter gene assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014541
PNG
(CHEMBL3261409)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C26H30N4O2S/c1-17-8-6-9-22(14-17)30-25-11-7-10-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)12-18(2)13-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human glucocorticoid receptor by fluorescence polarization assay


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50014541
PNG
(CHEMBL3261409)
Show SMILES C[C@@H](CNc1cccc2n(ncc12)-c1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
Show InChI InChI=1S/C26H30N4O2S/c1-17-8-6-9-22(14-17)30-25-11-7-10-24(23(25)16-28-30)27-15-21(5)29-33(31,32)26-19(3)12-18(2)13-20(26)4/h6-14,16,21,27,29H,15H2,1-5H3/t21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 8.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human PBMC assessed as inhibition of LPS-stimulated TNF-alpha release


Bioorg Med Chem Lett 24: 2571-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.070
BindingDB Entry DOI: 10.7270/Q2JQ12J6
More data for this
Ligand-Target Pair