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BDBM107654 US8575157, 28

SMILES: CC(C)[C@]1(CCCO)CCN([C@@H](C)c2ccc(cc2)-c2ccn(C)c(=O)c2)C(=O)O1

InChI Key: InChIKey=BLIKXDAKWNGQNT-UUOWRZLLSA-N

Data: 2 IC50

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

Found 2 hits for monomerid = 107654   
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))
BDBM107654
PNG
(US8575157, 28)
Show SMILES CC(C)[C@]1(CCCO)CCN([C@@H](C)c2ccc(cc2)-c2ccn(C)c(=O)c2)C(=O)O1 |r|
Show InChI InChI=1S/C24H32N2O4/c1-17(2)24(11-5-15-27)12-14-26(23(29)30-24)18(3)19-6-8-20(9-7-19)21-10-13-25(4)22(28)16-21/h6-10,13,16-18,27H,5,11-12,14-15H2,1-4H3/t18-,24-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.89n/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))
BDBM107654
PNG
(US8575157, 28)
Show SMILES CC(C)[C@]1(CCCO)CCN([C@@H](C)c2ccc(cc2)-c2ccn(C)c(=O)c2)C(=O)O1 |r|
Show InChI InChI=1S/C24H32N2O4/c1-17(2)24(11-5-15-27)12-14-26(23(29)30-24)18(3)19-6-8-20(9-7-19)21-10-13-25(4)22(28)16-21/h6-10,13,16-18,27H,5,11-12,14-15H2,1-4H3/t18-,24-/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>100n/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