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BDBM50331330 CHEMBL1289839::rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol

SMILES: Cc1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F

InChI Key: InChIKey=KSIDACILJMPROB-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50331330   
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))
BDBM50331330
PNG
(CHEMBL1289839 | rac-1,1,1-trifluoro-2-(4-(o-tolyls...)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C16H15F3O3S/c1-11-5-3-4-6-14(11)23(21,22)13-9-7-12(8-10-13)15(2,20)16(17,18)19/h3-10,20H,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 transfected in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 20: 7071-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.097
BindingDB Entry DOI: 10.7270/Q21G0MHX
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50331330
PNG
(CHEMBL1289839 | rac-1,1,1-trifluoro-2-(4-(o-tolyls...)
Show SMILES Cc1ccccc1S(=O)(=O)c1ccc(cc1)C(C)(O)C(F)(F)F
Show InChI InChI=1S/C16H15F3O3S/c1-11-5-3-4-6-14(11)23(21,22)13-9-7-12(8-10-13)15(2,20)16(17,18)19/h3-10,20H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 7071-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.097
BindingDB Entry DOI: 10.7270/Q21G0MHX
More data for this
Ligand-Target Pair