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BDBM50382825 CHEMBL2021943

SMILES: Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC3CCCCCCC3)S(=O)(=O)c2c1

InChI Key: InChIKey=LKXNVTCBUFENNZ-UHFFFAOYSA-N

Data: 2 EC50

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 = 50382825   
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))
BDBM50382825
PNG
(CHEMBL2021943)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC3CCCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C23H26ClN3O4S/c24-18-12-13-20-21(14-18)32(30,31)27(23(29)26-20)15-16-8-10-17(11-9-16)22(28)25-19-6-4-2-1-3-5-7-19/h8-14,19H,1-7,15H2,(H,25,28)(H,26,29)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 180n/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))
BDBM50382825
PNG
(CHEMBL2021943)
Show SMILES Clc1ccc2NC(=O)N(Cc3ccc(cc3)C(=O)NC3CCCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C23H26ClN3O4S/c24-18-12-13-20-21(14-18)32(30,31)27(23(29)26-20)15-16-8-10-17(11-9-16)22(28)25-19-6-4-2-1-3-5-7-19/h8-14,19H,1-7,15H2,(H,25,28)(H,26,29)
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 443n/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