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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P06537   
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


(MOUSE)
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
PDB

UniProtKB/SwissProt

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DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor


J Med Chem 43: 5010-6 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid


(MOUSE)
BDBM50409115
PNG
(LONAPRISAN)
Show SMILES CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37|
Show InChI InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a 16n/an/an/an/an/an/a



Schering AG

Curated by ChEMBL


Assay Description
In vitro antagonist potency in transactivation assay in NIH3T3 cells expressing glucocorticoid receptor


J Med Chem 43: 5010-6 (2001)

More data for this
Ligand-Target Pair
Glucocorticoid


(MOUSE)
BDBM50041896
PNG
(CHEMBL3358954)
Show SMILES CCS(=O)(=O)c1cc2cc(C[C@](O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1 |r|
Show InChI InChI=1/C23H25F4N3O4S/c1-4-35(33,34)19-8-13-7-15(30-18(13)11-29-19)10-22(32,23(25,26)27)12-21(2,3)17-6-5-14(24)9-16(17)20(28)31/h5-9,11,30,32H,4,10,12H2,1-3H3,(H2,28,31)/t22-/s2
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GR in mouse RAW cells assessed as suppression of TNF-alpha-induced IL-6 production


ACS Med Chem Lett 5: 1318-23 (2014)


Article DOI: 10.1021/ml500387y
More data for this
Ligand-Target Pair