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BDBM50145433 CHEMBL3764356

SMILES: CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3s2)[C@]11CCC(=O)C=C1

InChI Key: InChIKey=AZIFAEZORSWDIZ-FFPNMHRKNA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50145433   
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


(Homo sapiens (Human))
BDBM50145433
PNG
(CHEMBL3764356)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3s2)[C@]11CCC(=O)C=C1
Show InChI InChI=1/C21H23NO3S2/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-27(24,25)20-22-18-5-3-4-6-19(18)26-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD1 (unknown origin) using cortisol as substrate assessed as NADPH formation by fluorescent plate reader analysis


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50145433
PNG
(CHEMBL3764356)
Show SMILES CC(C)C1=CC[C@H](CS(=O)(=O)c2nc3ccccc3s2)[C@]11CCC(=O)C=C1
Show InChI InChI=1/C21H23NO3S2/c1-14(2)17-8-7-15(21(17)11-9-16(23)10-12-21)13-27(24,25)20-22-18-5-3-4-6-19(18)26-20/h3-6,8-9,11,14-15H,7,10,12-13H2,1-2H3/t15-,21+/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of full length human 11beta-HSD2 expressed in HEK293 cells using cortisone as substrate incubated for 2 hrs by HTRF assay in presence of N...


Eur J Med Chem 110: 126-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.027
BindingDB Entry DOI: 10.7270/Q28P62DG
More data for this
Ligand-Target Pair