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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 = 'BDBM107610'   
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))
BDBM107610
PNG
(US8575157, 60)
Show SMILES CC[C@H](N1CC[C@@](CC)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(c1)C(C)C |r|
Show InChI InChI=1S/C29H34N2O3/c1-5-26(30-19-18-29(6-2,34-28(30)33)25-10-8-7-9-11-25)23-14-12-22(13-15-23)24-16-17-27(32)31(20-24)21(3)4/h7-17,20-21,26H,5-6,18-19H2,1-4H3/t26-,29+/m0/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 0.75n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH

US Patent


Assay Description
The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly,...


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107610
PNG
(US8575157, 60)
Show SMILES CC[C@H](N1CC[C@@](CC)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(c1)C(C)C |r|
Show InChI InChI=1S/C29H34N2O3/c1-5-26(30-19-18-29(6-2,34-28(30)33)25-10-8-7-9-11-25)23-14-12-22(13-15-23)24-16-17-27(32)31(20-24)21(3)4/h7-17,20-21,26H,5-6,18-19H2,1-4H3/t26-,29+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 7n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International, GmbH

US Patent


Assay Description
Inhibition assay using 11β-HSD1 in the presence of 50% human plasma.


US Patent US8575157 (2013)


BindingDB Entry DOI: 10.7270/Q2416VPS
More data for this
Ligand-Target Pair