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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 = 'BDBM107479'   
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))
BDBM107479
PNG
(US8592410, 19)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)n1 |r|
Show InChI InChI=1S/C30H35N3O4/c1-21(23-11-13-24(14-12-23)26-15-16-27(34)33(31-26)19-22-9-10-22)32-18-17-30(37-28(32)35,20-29(2,3)36)25-7-5-4-6-8-25/h4-8,11-16,21-22,36H,9-10,17-20H2,1-3H3/t21-,30-/m0/s1
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.860n/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 US8592410 (2013)


BindingDB Entry DOI: 10.7270/Q2CF9NRN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107479
PNG
(US8592410, 19)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(CC2CC2)n1 |r|
Show InChI InChI=1S/C30H35N3O4/c1-21(23-11-13-24(14-12-23)26-15-16-27(34)33(31-26)19-22-9-10-22)32-18-17-30(37-28(32)35,20-29(2,3)36)25-7-5-4-6-8-25/h4-8,11-16,21-22,36H,9-10,17-20H2,1-3H3/t21-,30-/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 4.97n/an/an/an/an/an/a



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition assay using 11β-HSD1.


US Patent US8592410 (2013)


BindingDB Entry DOI: 10.7270/Q2CF9NRN
More data for this
Ligand-Target Pair