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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 = 'BDBM50340387'   
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


(Mus musculus (mouse))
BDBM50340387
PNG
(CHEMBL1761144 | N-((4-(4-methyl-5-(2-(trifluoromet...)
Show SMILES Cn1c(nnc1C12CCC(CNS(C)(=O)=O)(CC1)CC2)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2S/c1-27-16(14-5-3-4-6-15(14)20(21,22)23)25-26-17(27)19-10-7-18(8-11-19,9-12-19)13-24-30(2,28)29/h3-6,24H,7-13H2,1-2H3
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PC cid
PC sid
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Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50340387
PNG
(CHEMBL1761144 | N-((4-(4-methyl-5-(2-(trifluoromet...)
Show SMILES Cn1c(nnc1C12CCC(CNS(C)(=O)=O)(CC1)CC2)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2S/c1-27-16(14-5-3-4-6-15(14)20(21,22)23)25-26-17(27)19-10-7-18(8-11-19,9-12-19)13-24-30(2,28)29/h3-6,24H,7-13H2,1-2H3
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 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO-K1 cells assessed as conversion of [3H]-cortisone to [3H]-cortisol by scintillation proximity assay


Bioorg Med Chem Lett 21: 2568-72 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.018
BindingDB Entry DOI: 10.7270/Q2QJ7HMK
More data for this
Ligand-Target Pair