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BDBM50382817 CHEMBL2023429

SMILES: Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1

InChI Key: InChIKey=UHZRINKYAYYDJF-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 = 50382817   
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))
BDBM50382817
PNG
(CHEMBL2023429)
Show SMILES Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C25H28ClN3O4S/c26-19-10-13-22-23(15-19)34(32,33)28(25(31)27-22)16-17-6-5-7-18(14-17)24(30)29(21-11-12-21)20-8-3-1-2-4-9-20/h5-7,10,13-15,20-21H,1-4,8-9,11-12,16H2,(H,27,31)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 1n/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
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50382817
PNG
(CHEMBL2023429)
Show SMILES Clc1ccc2NC(=O)N(Cc3cccc(c3)C(=O)N(C3CC3)C3CCCCCC3)S(=O)(=O)c2c1
Show InChI InChI=1S/C25H28ClN3O4S/c26-19-10-13-22-23(15-19)34(32,33)28(25(31)27-22)16-17-6-5-7-18(14-17)24(30)29(21-11-12-21)20-8-3-1-2-4-9-20/h5-7,10,13-15,20-21H,1-4,8-9,11-12,16H2,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/an/an/a 258n/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