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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '11-beta-hydroxysteroid dehydrogenase 1' and Ligand = 'BDBM50192677'   
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))
BDBM50192677
PNG
((1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)py...)
Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O
Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+
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n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1


Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Mus musculus (mouse))
BDBM50192677
PNG
((1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)py...)
Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O
Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+
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n/an/a 119n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta-HSD1


Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50192677
PNG
((1R,7S,8r)-4-(2-methyl-2-(4-(5-(trifluoromethyl)py...)
Show SMILES CC(C)(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)NC1CC[C@H]2[C@@H](CC1)[C@@H]2C(N)=O
Show InChI InChI=1S/C23H32F3N5O2/c1-22(2,21(33)29-15-4-6-16-17(7-5-15)19(16)20(27)32)31-11-9-30(10-12-31)18-8-3-14(13-28-18)23(24,25)26/h3,8,13,15-17,19H,4-7,9-12H2,1-2H3,(H2,27,32)(H,29,33)/t15?,16-,17+,19+
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 185n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in HEK cells


Bioorg Med Chem Lett 16: 5408-13 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.062
BindingDB Entry DOI: 10.7270/Q2XG9QRS
More data for this
Ligand-Target Pair