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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 = 'BDBM107667'   
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))
BDBM107667
PNG
(US8575157, 74)
Show SMILES CC(C)n1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)C#C)(OC1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O3/c1-7-31(5,6)22-32(28-11-9-8-10-12-28)19-20-33(30(36)37-32)24(4)25-13-15-26(16-14-25)27-17-18-29(35)34(21-27)23(2)3/h1,8-18,21,23-24H,19-20,22H2,2-6H3/t24-,32-/m0/s1
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.21n/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))
BDBM107667
PNG
(US8575157, 74)
Show SMILES CC(C)n1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)C#C)(OC1=O)c1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O3/c1-7-31(5,6)22-32(28-11-9-8-10-12-28)19-20-33(30(36)37-32)24(4)25-13-15-26(16-14-25)27-17-18-29(35)34(21-27)23(2)3/h1,8-18,21,23-24H,19-20,22H2,2-6H3/t24-,32-/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 8.76n/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