BindingDB logo
myBDB logout

BDBM50273456 (S)-5-(2-Hydroxypropan-2-yl)-5-methyl-2-{1-[2-(trifluoromethyl)-phenyl]ethylamino}thiazol-4(5H)-one::CHEMBL456538

SMILES: C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1C(F)(F)F

InChI Key: InChIKey=ZOWSXPJLDABSMI-HJULIUOESA-N

Data: 1 KI  2 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 = 50273456   
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))
BDBM50273456
PNG
((S)-5-(2-Hydroxypropan-2-yl)-5-methyl-2-{1-[2-(tri...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H19F3N2O2S/c1-9(10-7-5-6-8-11(10)16(17,18)19)20-13-21-12(22)15(4,24-13)14(2,3)23/h5-9,23H,1-4H3,(H,20,21,22)/t9-,15?/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
25n/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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50273456
PNG
((S)-5-(2-Hydroxypropan-2-yl)-5-methyl-2-{1-[2-(tri...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H19F3N2O2S/c1-9(10-7-5-6-8-11(10)16(17,18)19)20-13-21-12(22)15(4,24-13)14(2,3)23/h5-9,23H,1-4H3,(H,20,21,22)/t9-,15?/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 43n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells assessed as conversion of cortisone to cortisol by ELISA


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
11-beta-hydroxysteroid dehydrogenase 2


(Homo sapiens (Human))
BDBM50273456
PNG
((S)-5-(2-Hydroxypropan-2-yl)-5-methyl-2-{1-[2-(tri...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1C(F)(F)F |r,t:3|
Show InChI InChI=1S/C16H19F3N2O2S/c1-9(10-7-5-6-8-11(10)16(17,18)19)20-13-21-12(22)15(4,24-13)14(2,3)23/h5-9,23H,1-4H3,(H,20,21,22)/t9-,15?/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD2 expressed in CHO cells using [3H]cortisol 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