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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glucocorticoid receptor' and Ligand = 'BDBM18719'   
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))
BDBM18719
PNG
(6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[(prop...)
Show SMILES COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:18|
Show InChI InChI=1S/C22H24FNOS/c1-5-10-26-14-16-13-22(2,3)24-20-8-6-15(11-18(16)20)19-12-17(23)7-9-21(19)25-4/h5-9,11-13,24H,1,10,14H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/a7.422



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.


Bioorg Med Chem Lett 17: 5091-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.021
BindingDB Entry DOI: 10.7270/Q21J981M
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18719
PNG
(6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[(prop...)
Show SMILES COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:18|
Show InChI InChI=1S/C22H24FNOS/c1-5-10-26-14-16-13-22(2,3)24-20-8-6-15(11-18(16)20)19-12-17(23)7-9-21(19)25-4/h5-9,11-13,24H,1,10,14H2,2-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/a7.422



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves.


Bioorg Med Chem Lett 16: 1549-52 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.043
BindingDB Entry DOI: 10.7270/Q25B00RG
More data for this
Ligand-Target Pair