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BDBM50382815 CHEMBL2023426

SMILES: CN(C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=HGVQYPBSKNTPTE-UHFFFAOYSA-N

Data: 2 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50382815   
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))
BDBM50382815
PNG
(CHEMBL2023426)
Show SMILES CN(C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:28:29:26.27.32:33,THB:28:27:33:34.29.30,30:29:26:32.31.33,30:31:26:34.28.29|
Show InChI InChI=1S/C26H28ClN3O4S/c1-29(26-12-17-8-18(13-26)10-19(9-17)14-26)24(31)20-4-2-16(3-5-20)15-30-25(32)28-22-7-6-21(27)11-23(22)35(30,33)34/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,28,32)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 55n/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))
BDBM50382815
PNG
(CHEMBL2023426)
Show SMILES CN(C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 |TLB:28:29:26.27.32:33,THB:28:27:33:34.29.30,30:29:26:32.31.33,30:31:26:34.28.29|
Show InChI InChI=1S/C26H28ClN3O4S/c1-29(26-12-17-8-18(13-26)10-19(9-17)14-26)24(31)20-4-2-16(3-5-20)15-30-25(32)28-22-7-6-21(27)11-23(22)35(30,33)34/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,28,32)
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 70n/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