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BDBM50334704 3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-carboxylic acid(5-carbamoyl-adamantan-2-yl)-amide::CHEMBL1642618

SMILES: NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2

InChI Key: InChIKey=CWGUIYWNXUHDEO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50334704   
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))
BDBM50334704
PNG
(3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-ca...)
Show SMILES NC(=O)C12CC3CC(C1)C(NC(=O)C1SCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C3)C2 |TLB:10:9:31.8.3:6.5.30,10:9:30:31.3.4,8:3:9.7.6:30,THB:8:7:30:31.3.4,4:3:9:6.5.30,4:5:9:31.8.3,1:3:9:6.5.30,1:3:9.7.6:30,(18.16,-3.14,;17.33,-1.84,;18.05,-.47,;15.79,-1.9,;15.81,-.37,;14.41,.21,;13.37,-1.03,;13.38,-2.61,;14.78,-3.17,;11.87,-3.03,;10.54,-2.26,;9.21,-3.03,;7.87,-2.27,;9.21,-4.57,;10.46,-5.48,;9.98,-6.95,;8.44,-6.95,;7.97,-5.48,;6.62,-4.73,;5.84,-3.39,;7.38,-3.39,;5.3,-5.52,;5.33,-7.05,;4.01,-7.85,;2.66,-7.1,;1.34,-7.89,;2.64,-5.56,;1.29,-4.81,;3.96,-4.77,;13.07,-1.75,;13.06,-.27,;14.4,-2.24,)|
Show InChI InChI=1S/C21H25Cl2N3O4S2/c22-15-2-1-14(7-16(15)23)32(29,30)26-3-4-31-19(26)18(27)25-17-12-5-11-6-13(17)10-21(8-11,9-12)20(24)28/h1-2,7,11-13,17,19H,3-6,8-10H2,(H2,24,28)(H,25,27)
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Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 expressed in CHO cells after 3 hrs by HTRF cortisol assay


Bioorg Med Chem Lett 21: 435-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.123
BindingDB Entry DOI: 10.7270/Q2FJ2H1K
More data for this
Ligand-Target Pair