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BDBM50224212 5-isopropyl-2-(2-(trifluoromethyl)phenylamino)thiazol-4(5H)-one::CHEMBL396618

SMILES: CC(C)c1sc(Nc2ccccc2C(F)(F)F)nc1O

InChI Key: InChIKey=QXZHZIYXCGQXGZ-UHFFFAOYSA-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 = 50224212   
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))
BDBM50224212
PNG
(5-isopropyl-2-(2-(trifluoromethyl)phenylamino)thia...)
Show SMILES CC(C)c1sc(Nc2ccccc2C(F)(F)F)nc1O
Show InChI InChI=1S/C13H13F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-6-4-3-5-8(9)13(14,15)16/h3-7,19H,1-2H3,(H,17,18)
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Article
PubMed
23n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 by SPA


Bioorg Med Chem Lett 17: 6056-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50224212
PNG
(5-isopropyl-2-(2-(trifluoromethyl)phenylamino)thia...)
Show SMILES CC(C)c1sc(Nc2ccccc2C(F)(F)F)nc1O
Show InChI InChI=1S/C13H13F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-6-4-3-5-8(9)13(14,15)16/h3-7,19H,1-2H3,(H,17,18)
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 in presence of 3% HSA by cell based assay


Bioorg Med Chem Lett 17: 6056-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50224212
PNG
(5-isopropyl-2-(2-(trifluoromethyl)phenylamino)thia...)
Show SMILES CC(C)c1sc(Nc2ccccc2C(F)(F)F)nc1O
Show InChI InChI=1S/C13H13F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-6-4-3-5-8(9)13(14,15)16/h3-7,19H,1-2H3,(H,17,18)
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 28n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11betaHSD1 in CHO cells assessed as conversion of cortisone to cortisol


Bioorg Med Chem Lett 17: 6056-61 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.070
BindingDB Entry DOI: 10.7270/Q2X34X6D
More data for this
Ligand-Target Pair