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BDBM50243595 (S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-Nethylbenzamide::CHEMBL461292

SMILES: CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F

InChI Key: InChIKey=WLWHNXMTVCKXGI-KRWDZBQOSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50243595   
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))
BDBM50243595
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C18H24F3NO2/c1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h9-12,15,24H,3-8H2,1-2H3/t17-/m0/s1
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Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cloned 11beta-HSD1 by scintillation proximity assay


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243595
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C18H24F3NO2/c1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h9-12,15,24H,3-8H2,1-2H3/t17-/m0/s1
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells in presence of 3% human serum albumin


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50243595
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES CCN(C1CCCCC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C18H24F3NO2/c1-3-22(15-7-5-4-6-8-15)16(23)13-9-11-14(12-10-13)17(2,24)18(19,20)21/h9-12,15,24H,3-8H2,1-2H3/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in HEK293 cells


J Med Chem 51: 3953-60 (2008)


Article DOI: 10.1021/jm800310g
BindingDB Entry DOI: 10.7270/Q2P84CSZ
More data for this
Ligand-Target Pair