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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 = 'BDBM108085'   
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))
BDBM108085
PNG
(US8598163, 51)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc2nc(C)cn2n1 |r|
Show InChI InChI=1S/C29H32N4O3/c1-20-18-33-26(30-20)15-14-25(31-33)23-12-10-22(11-13-23)21(2)32-17-16-29(36-27(32)34,19-28(3,4)35)24-8-6-5-7-9-24/h5-15,18,21,35H,16-17,19H2,1-4H3/t21-,29-/m0/s1
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MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/a7.4n/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 US8598163 (2013)


BindingDB Entry DOI: 10.7270/Q29K48WR
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM108085
PNG
(US8598163, 51)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc2nc(C)cn2n1 |r|
Show InChI InChI=1S/C29H32N4O3/c1-20-18-33-26(30-20)15-14-25(31-33)23-12-10-22(11-13-23)21(2)32-17-16-29(36-27(32)34,19-28(3,4)35)24-8-6-5-7-9-24/h5-15,18,21,35H,16-17,19H2,1-4H3/t21-,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 5.90n/an/an/an/a7.4n/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 US8598163 (2013)


BindingDB Entry DOI: 10.7270/Q29K48WR
More data for this
Ligand-Target Pair