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BDBM50273455 2-[(S)-1-(2-Chlorophenyl)ethylamino]-5-(2-hydroxypropan-2-yl)-5-methylthiazol-4(5H)-one::CHEMBL512907

SMILES: C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1Cl

InChI Key: InChIKey=SAFBQFCXQCUPQN-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 = 50273455   
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))
BDBM50273455
PNG
(2-[(S)-1-(2-Chlorophenyl)ethylamino]-5-(2-hydroxyp...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1Cl |r,t:3|
Show InChI InChI=1S/C15H19ClN2O2S/c1-9(10-7-5-6-8-11(10)16)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1
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Article
PubMed
26n/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))
BDBM50273455
PNG
(2-[(S)-1-(2-Chlorophenyl)ethylamino]-5-(2-hydroxyp...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1Cl |r,t:3|
Show InChI InChI=1S/C15H19ClN2O2S/c1-9(10-7-5-6-8-11(10)16)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/t9-,15?/m0/s1
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Article
PubMed
n/an/a 18n/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))
BDBM50273455
PNG
(2-[(S)-1-(2-Chlorophenyl)ethylamino]-5-(2-hydroxyp...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)C(C)(C)O)c1ccccc1Cl |r,t:3|
Show InChI InChI=1S/C15H19ClN2O2S/c1-9(10-7-5-6-8-11(10)16)17-13-18-12(19)15(4,21-13)14(2,3)20/h5-9,20H,1-4H3,(H,17,18,19)/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