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SMILES: CN(C1CCCCCC1)C(=O)c1csc(CNS(=O)(=O)c2cccc(Cl)c2)n1

InChI Key: InChIKey=NYFXYYYKZNDWTF-UHFFFAOYSA-N

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   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 = 50017010   
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))
BDBM50017010
PNG
(CHEMBL3287024)
Show SMILES CN(C1CCCCCC1)C(=O)c1csc(CNS(=O)(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C19H24ClN3O3S2/c1-23(15-8-4-2-3-5-9-15)19(24)17-13-27-18(22-17)12-21-28(25,26)16-10-6-7-14(20)11-16/h6-7,10-11,13,15,21H,2-5,8-9,12H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50017010
PNG
(CHEMBL3287024)
Show SMILES CN(C1CCCCCC1)C(=O)c1csc(CNS(=O)(=O)c2cccc(Cl)c2)n1
Show InChI InChI=1S/C19H24ClN3O3S2/c1-23(15-8-4-2-3-5-9-15)19(24)17-13-27-18(22-17)12-21-28(25,26)16-10-6-7-14(20)11-16/h6-7,10-11,13,15,21H,2-5,8-9,12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 307n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


J Med Chem 57: 4466-86 (2014)


Article DOI: 10.1021/jm4014746
BindingDB Entry DOI: 10.7270/Q280546B
More data for this
Ligand-Target Pair