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BDBM50382830 CHEMBL2023428

SMILES: CN(C1CCCCCC1)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1

InChI Key: InChIKey=POWXSIYNHSGPLN-UHFFFAOYSA-N

Data: 2 EC50

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 2 hits for monomerid = 50382830   
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))
BDBM50382830
PNG
(CHEMBL2023428)
Show SMILES CN(C1CCCCCC1)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1
Show InChI InChI=1S/C23H26ClN3O4S/c1-26(19-9-4-2-3-5-10-19)22(28)17-8-6-7-16(13-17)15-27-23(29)25-20-12-11-18(24)14-21(20)32(27,30)31/h6-8,11-14,19H,2-5,9-10,15H2,1H3,(H,25,29)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 401n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.095
BindingDB Entry DOI: 10.7270/Q22F7PGX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50382830
PNG
(CHEMBL2023428)
Show SMILES CN(C1CCCCCC1)C(=O)c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1
Show InChI InChI=1S/C23H26ClN3O4S/c1-26(19-9-4-2-3-5-10-19)22(28)17-8-6-7-16(13-17)15-27-23(29)25-20-12-11-18(24)14-21(20)32(27,30)31/h6-8,11-14,19H,2-5,9-10,15H2,1H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK293 cells assessed as [3H]cortisol production after 60 mins by SPA


Bioorg Med Chem Lett 22: 2748-52 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.095
BindingDB Entry DOI: 10.7270/Q22F7PGX
More data for this
Ligand-Target Pair