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BDBM50417874 CHEMBL1668091

SMILES: C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N1CCC[C@H]1C(N)=O)NS(=O)(=O)C1CC1

InChI Key: InChIKey=YDWRQVQUDJRKQZ-DFHRZAMKNA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50417874   
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))
BDBM50417874
PNG
(CHEMBL1668091)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N1CCC[C@H]1C(N)=O)NS(=O)(=O)C1CC1
Show InChI InChI=1/C26H32N6O4S/c1-16-11-22(28-14-17(2)30-37(35,36)20-8-9-20)21-15-29-32(24(21)12-16)19-6-3-5-18(13-19)26(34)31-10-4-7-23(31)25(27)33/h3,5-6,11-13,15,17,20,23,28,30H,4,7-10,14H2,1-2H3,(H2,27,33)/t17-,23-/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activity


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417874
PNG
(CHEMBL1668091)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N1CCC[C@H]1C(N)=O)NS(=O)(=O)C1CC1
Show InChI InChI=1/C26H32N6O4S/c1-16-11-22(28-14-17(2)30-37(35,36)20-8-9-20)21-15-29-32(24(21)12-16)19-6-3-5-18(13-19)26(34)31-10-4-7-23(31)25(27)33/h3,5-6,11-13,15,17,20,23,28,30H,4,7-10,14H2,1-2H3,(H2,27,33)/t17-,23-/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 794n/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 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50417874
PNG
(CHEMBL1668091)
Show SMILES C[C@@H](CNc1cc(C)cc2n(ncc12)-c1cccc(c1)C(=O)N1CCC[C@H]1C(N)=O)NS(=O)(=O)C1CC1
Show InChI InChI=1/C26H32N6O4S/c1-16-11-22(28-14-17(2)30-37(35,36)20-8-9-20)21-15-29-32(24(21)12-16)19-6-3-5-18(13-19)26(34)31-10-4-7-23(31)25(27)33/h3,5-6,11-13,15,17,20,23,28,30H,4,7-10,14H2,1-2H3,(H2,27,33)/t17-,23-/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptor


Bioorg Med Chem Lett 21: 1126-33 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.121
BindingDB Entry DOI: 10.7270/Q2571D8H
More data for this
Ligand-Target Pair