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BDBM50243632 (S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide::CHEMBL469698

SMILES: C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F

InChI Key: InChIKey=MMIDZOVIJQHNLX-SFHVURJKSA-N

Data: 4 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 4 hits for monomerid = 50243632   
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))
BDBM50243632
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H24F3NO2/c1-18(25,19(20,21)22)14-9-7-13(8-10-14)17(24)23(16-11-12-16)15-5-3-2-4-6-15/h7-10,15-16,25H,2-6,11-12H2,1H3/t18-/m0/s1
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Article
PubMed
n/an/a 0.800n/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 2


(Homo sapiens (Human))
BDBM50243632
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H24F3NO2/c1-18(25,19(20,21)22)14-9-7-13(8-10-14)17(24)23(16-11-12-16)15-5-3-2-4-6-15/h7-10,15-16,25H,2-6,11-12H2,1H3/t18-/m0/s1
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of 11beta-HSD2 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))
BDBM50243632
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H24F3NO2/c1-18(25,19(20,21)22)14-9-7-13(8-10-14)17(24)23(16-11-12-16)15-5-3-2-4-6-15/h7-10,15-16,25H,2-6,11-12H2,1H3/t18-/m0/s1
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Article
PubMed
n/an/a 38n/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))
BDBM50243632
PNG
((S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropa...)
Show SMILES C[C@](O)(c1ccc(cc1)C(=O)N(C1CC1)C1CCCCC1)C(F)(F)F |r|
Show InChI InChI=1S/C19H24F3NO2/c1-18(25,19(20,21)22)14-9-7-13(8-10-14)17(24)23(16-11-12-16)15-5-3-2-4-6-15/h7-10,15-16,25H,2-6,11-12H2,1H3/t18-/m0/s1
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 2.40n/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