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BDBM50273398 4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4-oxo-4,5-dihydrothiazol-5-yl}benzamide::CHEMBL516847

SMILES: C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(N)=O)c1ccc(F)cc1

InChI Key: InChIKey=FGEMHDNXHGCGCE-IFGYVTRGSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50273398   
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))
BDBM50273398
PNG
(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(N)=O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C19H18FN3O2S/c1-11(12-5-9-15(20)10-6-12)22-18-23-17(25)19(2,26-18)14-7-3-13(4-8-14)16(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,23,25)/t11-,19?/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
44n/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))
BDBM50273398
PNG
(4-{2-[(S)-1-(4-Fluorophenyl)ethylamino]-5-methyl-4...)
Show SMILES C[C@H](NC1=NC(=O)C(C)(S1)c1ccc(cc1)C(N)=O)c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C19H18FN3O2S/c1-11(12-5-9-15(20)10-6-12)22-18-23-17(25)19(2,26-18)14-7-3-13(4-8-14)16(21)24/h3-11H,1-2H3,(H2,21,24)(H,22,23,25)/t11-,19?/m0/s1
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 79n/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