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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50331331'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50331331
PNG
(CHEMBL1289840 | rac-2-(4-(3-chlorophenylsulfonyl)p...)
Show SMILES CC(O)(c1ccc(cc1)S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C15H12ClF3O3S/c1-14(20,15(17,18)19)10-5-7-12(8-6-10)23(21,22)13-4-2-3-11(16)9-13/h2-9,20H,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18.1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 by scintillation proximity assay


Bioorg Med Chem Lett 20: 7071-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.097
BindingDB Entry DOI: 10.7270/Q21G0MHX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50331331
PNG
(CHEMBL1289840 | rac-2-(4-(3-chlorophenylsulfonyl)p...)
Show SMILES CC(O)(c1ccc(cc1)S(=O)(=O)c1cccc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C15H12ClF3O3S/c1-14(20,15(17,18)19)10-5-7-12(8-6-10)23(21,22)13-4-2-3-11(16)9-13/h2-9,20H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 317n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 7071-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.097
BindingDB Entry DOI: 10.7270/Q21G0MHX
More data for this
Ligand-Target Pair