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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 = 'BDBM107586'   
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))
BDBM107586
PNG
(US8575157, 15)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r|
Show InChI InChI=1S/C28H28FN3O3/c1-19(20-4-6-21(7-5-20)22-8-13-25(33)31-16-22)32-15-14-28(35-26(32)34,17-27(2,3)18-30)23-9-11-24(29)12-10-23/h4-13,16,19H,14-15,17H2,1-3H3,(H,31,33)/t19-,28-/m0/s1
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.580n/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))
BDBM107586
PNG
(US8575157, 15)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)C#N)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r|
Show InChI InChI=1S/C28H28FN3O3/c1-19(20-4-6-21(7-5-20)22-8-13-25(33)31-16-22)32-15-14-28(35-26(32)34,17-27(2,3)18-30)23-9-11-24(29)12-10-23/h4-13,16,19H,14-15,17H2,1-3H3,(H,31,33)/t19-,28-/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 2.15n/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