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BDBM50440493 CHEMBL2426148

SMILES: CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)c(Cl)c1)C(=O)Nc1nccs1

InChI Key: InChIKey=VCELWHFCXPYFQZ-UHFFFAOYSA-N

Data: 1 KI  2 EC50

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 = 50440493   
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))
BDBM50440493
PNG
(CHEMBL2426148)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)c(Cl)c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H22ClFN4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)19-9-11-22-24(31-16-33(22)15-19)18-8-10-21(29)20(28)14-18/h3-16,23H,1-2H3,(H,30,32,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8n/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))
BDBM50440493
PNG
(CHEMBL2426148)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)c(Cl)c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H22ClFN4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)19-9-11-22-24(31-16-33(22)15-19)18-8-10-21(29)20(28)14-18/h3-16,23H,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))
BDBM50440493
PNG
(CHEMBL2426148)
Show SMILES CC(C)(C(c1ccccc1)c1ccc2c(ncn2c1)-c1ccc(F)c(Cl)c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C27H22ClFN4OS/c1-27(2,25(34)32-26-30-12-13-35-26)23(17-6-4-3-5-7-17)19-9-11-22-24(31-16-33(22)15-19)18-8-10-21(29)20(28)14-18/h3-16,23H,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 114n/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