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BDBM50273449 CHEMBL455894::N-Cyclopropyl-4-{2-[(S)-1-(4-fluorophenyl)ethylamino]-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl}benzamide

SMILES: C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)NC1CC1)c1ccc(F)cc1

InChI Key: InChIKey=VSKLTPJPTOYPER-JHAYDQECSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50273449   
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))
BDBM50273449
PNG
(CHEMBL455894 | N-Cyclopropyl-4-{2-[(S)-1-(4-fluoro...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(=O)NC1CC1)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C22H22FN3O2S/c1-13(14-5-9-17(23)10-6-14)24-21-26-20(28)22(2,29-21)16-7-3-15(4-8-16)19(27)25-18-11-12-18/h3-10,13,18H,11-12H2,1-2H3,(H,25,27)(H,24,26,28)/t13-,22?/m0/s1
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Similars

Article
PubMed
240n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay


J Med Chem 51: 7953-67 (2008)


Article DOI: 10.1021/jm801073z
BindingDB Entry DOI: 10.7270/Q2FJ2GN7
More data for this
Ligand-Target Pair