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SMILES: Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F

InChI Key: InChIKey=RXFVXOJMNXCVDD-UHFFFAOYSA-N

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 4 hits for monomerid = 50423191   
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))
BDBM50423191
PNG
(CHEMBL234988)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423191
PNG
(CHEMBL234988)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423191
PNG
(CHEMBL234988)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50423191
PNG
(CHEMBL234988)
Show SMILES Nc1c(cnn1-c1ccccc1)C(=O)NCC(O)(CC1(CCC1)c1cc(F)ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C24H23ClF4N4O2/c25-19-8-7-15(26)11-18(19)22(9-4-10-22)13-23(35,24(27,28)29)14-31-21(34)17-12-32-33(20(17)30)16-5-2-1-3-6-16/h1-3,5-8,11-12,35H,4,9-10,13-14,30H2,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assay


Bioorg Med Chem Lett 17: 4737-45 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.066
BindingDB Entry DOI: 10.7270/Q2KD206G
More data for this
Ligand-Target Pair