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BDBM107577 US8575157, 1

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

InChI Key: InChIKey=WXRUKBJZMAEVOM-PPHZAIPVSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 107577   
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))
BDBM107577
PNG
(US8575157, 1)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r|
Show InChI InChI=1S/C27H30N2O4/c1-19(20-9-11-21(12-10-20)22-13-14-24(30)28-17-22)29-16-15-27(33-25(29)31,18-26(2,3)32)23-7-5-4-6-8-23/h4-14,17,19,32H,15-16,18H2,1-3H3,(H,28,30)/t19-,27-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.84n/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))
BDBM107577
PNG
(US8575157, 1)
Show SMILES C[C@H](N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1)c1ccc(cc1)-c1ccc(=O)[nH]c1 |r|
Show InChI InChI=1S/C27H30N2O4/c1-19(20-9-11-21(12-10-20)22-13-14-24(30)28-17-22)29-16-15-27(33-25(29)31,18-26(2,3)32)23-7-5-4-6-8-23/h4-14,17,19,32H,15-16,18H2,1-3H3,(H,28,30)/t19-,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 1.51n/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