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BDBM50137262 CHEMBL3084952::[4-((S)-1-Amino-2-oxo-2-thiazolidin-3-yl-ethyl)-cyclohexyl]-carbamic acid naphthalen-1-ylmethyl ester

SMILES: [H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1cccc2ccccc12)[C@H](N)C(=O)N1CCSC1

InChI Key: InChIKey=KPULQFRFEHKYJN-CUWPLCDZSA-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 = 50137262   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50137262
PNG
(CHEMBL3084952 | [4-((S)-1-Amino-2-oxo-2-thiazolidi...)
Show SMILES [H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1cccc2ccccc12)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:22.25,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;5.74,-7.7,;7.07,-8.45,;7.08,-9.99,;5.74,-10.76,;4.39,-9.99,;3.08,-10.76,;1.75,-9.99,;1.75,-8.45,;3.08,-7.68,;4.41,-8.45,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
Show InChI InChI=1S/C23H29N3O3S/c24-21(22(27)26-12-13-30-15-26)17-8-10-19(11-9-17)25-23(28)29-14-18-6-3-5-16-4-1-2-7-20(16)18/h1-7,17,19,21H,8-15,24H2,(H,25,28)/t17-,19-,21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 17n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against dipeptidyl-peptidase IV.


Bioorg Med Chem Lett 14: 43-6 (2003)


BindingDB Entry DOI: 10.7270/Q26972ZM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50137262
PNG
(CHEMBL3084952 | [4-((S)-1-Amino-2-oxo-2-thiazolidi...)
Show SMILES [H][C@@]1(CC[C@@H](CC1)NC(=O)OCc1cccc2ccccc12)[C@H](N)C(=O)N1CCSC1 |wU:4.7,1.0,wD:22.25,(1.73,2.3,;3.06,1.54,;1.75,.76,;1.75,-.78,;3.06,-1.54,;4.39,-.78,;4.39,.76,;3.06,-3.08,;4.41,-3.85,;5.74,-3.08,;4.41,-5.39,;5.74,-6.16,;5.74,-7.7,;7.07,-8.45,;7.08,-9.99,;5.74,-10.76,;4.39,-9.99,;3.08,-10.76,;1.75,-9.99,;1.75,-8.45,;3.08,-7.68,;4.41,-8.45,;3.06,3.08,;1.73,3.85,;4.41,3.87,;4.41,5.41,;5.74,3.08,;7.15,3.71,;8.17,2.57,;7.4,1.23,;5.9,1.56,)|
Show InChI InChI=1S/C23H29N3O3S/c24-21(22(27)26-12-13-30-15-26)17-8-10-19(11-9-17)25-23(28)29-14-18-6-3-5-16-4-1-2-7-20(16)18/h1-7,17,19,21H,8-15,24H2,(H,25,28)/t17-,19-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 170n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against quiescent cell prolyl peptidase (QPP).


Bioorg Med Chem Lett 14: 43-6 (2003)


BindingDB Entry DOI: 10.7270/Q26972ZM
More data for this
Ligand-Target Pair