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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 = 'BDBM50340373'   
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))
BDBM50340373
PNG
(4-methyl-3-(4-(2-(phenylsulfonyl)ethyl)bicyclo[2.2...)
Show SMILES Cn1c(nnc1C12CCC(CCS(=O)(=O)c3ccccc3)(CC1)CC2)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2S/c1-32-22(20-9-5-6-10-21(20)26(27,28)29)30-31-23(32)25-14-11-24(12-15-25,13-16-25)17-18-35(33,34)19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.60n/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))
BDBM50340373
PNG
(4-methyl-3-(4-(2-(phenylsulfonyl)ethyl)bicyclo[2.2...)
Show SMILES Cn1c(nnc1C12CCC(CCS(=O)(=O)c3ccccc3)(CC1)CC2)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H28F3N3O2S/c1-32-22(20-9-5-6-10-21(20)26(27,28)29)30-31-23(32)25-14-11-24(12-15-25,13-16-25)17-18-35(33,34)19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
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 4.40n/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