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BDBM50331359 CHEMBL1289291::rac-1-(3-chloro-4-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)benzyl)cyclopropanecarboxamide

SMILES: CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(CC2(CC2)C(N)=O)cc1Cl)C(F)(F)F

InChI Key: InChIKey=TVNOLCOMISTRDM-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 = 50331359   
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))
BDBM50331359
PNG
(CHEMBL1289291 | rac-1-(3-chloro-4-(4-(1,1,1-triflu...)
Show SMILES CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(CC2(CC2)C(N)=O)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H19ClF3NO4S/c1-18(27,20(22,23)24)13-3-5-14(6-4-13)30(28,29)16-7-2-12(10-15(16)21)11-19(8-9-19)17(25)26/h2-7,10,27H,8-9,11H2,1H3,(H2,25,26)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 650n/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))
BDBM50331359
PNG
(CHEMBL1289291 | rac-1-(3-chloro-4-(4-(1,1,1-triflu...)
Show SMILES CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(CC2(CC2)C(N)=O)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C20H19ClF3NO4S/c1-18(27,20(22,23)24)13-3-5-14(6-4-13)30(28,29)16-7-2-12(10-15(16)21)11-19(8-9-19)17(25)26/h2-7,10,27H,8-9,11H2,1H3,(H2,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/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