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BDBM50297918 3-Chloro-N-{4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]benzyl}-4-fluorobenzenesulfonamide::CHEMBL552225

SMILES: C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1

InChI Key: InChIKey=SQZWJDXCUYQULP-OKILXGFUSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 50297918   
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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50297918
PNG
(3-Chloro-N-{4-[(2R,6S)-2,6-dimethylmorpholine-4-ca...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 |r|
Show InChI InChI=1S/C20H22ClFN2O4S/c1-13-11-24(12-14(2)28-13)20(25)16-5-3-15(4-6-16)10-23-29(26,27)17-7-8-19(22)18(21)9-17/h3-9,13-14,23H,10-12H2,1-2H3/t13-,14+
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse microsomal 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximi...


Bioorg Med Chem Lett 19: 4455-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.033
BindingDB Entry DOI: 10.7270/Q2VT1T1D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50297918
PNG
(3-Chloro-N-{4-[(2R,6S)-2,6-dimethylmorpholine-4-ca...)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 |r|
Show InChI InChI=1S/C20H22ClFN2O4S/c1-13-11-24(12-14(2)28-13)20(25)16-5-3-15(4-6-16)10-23-29(26,27)17-7-8-19(22)18(21)9-17/h3-9,13-14,23H,10-12H2,1-2H3/t13-,14+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.63E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human microsomal 11beta-HSD1 expressed in HEK293 cells assessed as conversion of [3H]cortisone to [3H]cortisol by scintillation proximi...


Bioorg Med Chem Lett 19: 4455-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.033
BindingDB Entry DOI: 10.7270/Q2VT1T1D
More data for this
Ligand-Target Pair