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BDBM107670 US8575157, 87

SMILES: CCCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1

InChI Key: InChIKey=YOSFTRKRFZSSDY-CHJDUVSTSA-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 = 107670   
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))
BDBM107670
PNG
(US8575157, 87)
Show SMILES CCCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C30H36N2O4/c1-5-18-31-20-25(15-16-27(31)33)24-13-11-23(12-14-24)22(2)32-19-17-30(36-28(32)34,21-29(3,4)35)26-9-7-6-8-10-26/h6-16,20,22,35H,5,17-19,21H2,1-4H3/t22-,30-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.20n/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))
BDBM107670
PNG
(US8575157, 87)
Show SMILES CCCn1cc(ccc1=O)-c1ccc(cc1)[C@H](C)N1CC[C@@](CC(C)(C)O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C30H36N2O4/c1-5-18-31-20-25(15-16-27(31)33)24-13-11-23(12-14-24)22(2)32-19-17-30(36-28(32)34,21-29(3,4)35)26-9-7-6-8-10-26/h6-16,20,22,35H,5,17-19,21H2,1-4H3/t22-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.40n/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