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BDBM107607 US8575157, 56

SMILES: CC[C@H](N1CC[C@@](CC)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1

InChI Key: InChIKey=XUUNWJJVQNZHOV-RPLLCQBOSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 107607   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM107607
PNG
(US8575157, 56)
Show SMILES CC[C@H](N1CC[C@@](CC)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C27H30N2O3/c1-4-24(21-13-11-20(12-14-21)22-15-16-25(30)28(3)19-22)29-18-17-27(5-2,32-26(29)31)23-9-7-6-8-10-23/h6-16,19,24H,4-5,17-18H2,1-3H3/t24-,27+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13.2n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM107607
PNG
(US8575157, 56)
Show SMILES CC[C@H](N1CC[C@@](CC)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C27H30N2O3/c1-4-24(21-13-11-20(12-14-21)22-15-16-25(30)28(3)19-22)29-18-17-27(5-2,32-26(29)31)23-9-7-6-8-10-23/h6-16,19,24H,4-5,17-18H2,1-3H3/t24-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

US Patent
n/an/a 1.03n/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