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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 = 'BDBM50260967'   
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))
BDBM50260967
PNG
(3-(2-chloro-4-(2-(trifluoromethyl)-1H-imidazol-1-y...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1C(F)(F)F
Show InChI InChI=1S/C23H18Cl2F3N5/c1-32-19(30-31-20(32)22(9-2-10-22)14-3-5-15(24)6-4-14)17-8-7-16(13-18(17)25)33-12-11-29-21(33)23(26,27)28/h3-8,11-13H,2,9-10H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.960n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50260967
PNG
(3-(2-chloro-4-(2-(trifluoromethyl)-1H-imidazol-1-y...)
Show SMILES Cn1c(nnc1C1(CCC1)c1ccc(Cl)cc1)-c1ccc(cc1Cl)-n1ccnc1C(F)(F)F
Show InChI InChI=1S/C23H18Cl2F3N5/c1-32-19(30-31-20(32)22(9-2-10-22)14-3-5-15(24)6-4-14)17-8-7-16(13-18(17)25)33-12-11-29-21(33)23(26,27)28/h3-8,11-13H,2,9-10H2,1H3
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 0.980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human 11beta HSD1 by SPA assay


Bioorg Med Chem Lett 18: 3405-11 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.013
BindingDB Entry DOI: 10.7270/Q2XP74QM
More data for this
Ligand-Target Pair