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BDBM50198850 3-[(2S,4S)-4-(4-cyanobenzoyl)oxy-2-pyrrolidinylcarbonyl]-1,3-thiazolidine::CHEMBL387666

SMILES: O=C(O[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)c1ccc(cc1)C#N

InChI Key: InChIKey=VUMQQJSYAXWOAN-KBPBESRZSA-N

Data: 2 IC50

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   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 = 50198850   
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 IV


(Rattus norvegicus (rat))
BDBM50198850
PNG
(3-[(2S,4S)-4-(4-cyanobenzoyl)oxy-2-pyrrolidinylcar...)
Show SMILES O=C(O[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H17N3O3S/c17-8-11-1-3-12(4-2-11)16(21)22-13-7-14(18-9-13)15(20)19-5-6-23-10-19/h1-4,13-14,18H,5-7,9-10H2/t13-,14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>300n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma by fluorescence assay


Bioorg Med Chem 15: 641-55 (2006)


Article DOI: 10.1016/j.bmc.2006.10.059
BindingDB Entry DOI: 10.7270/Q21N81X1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198850
PNG
(3-[(2S,4S)-4-(4-cyanobenzoyl)oxy-2-pyrrolidinylcar...)
Show SMILES O=C(O[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H17N3O3S/c17-8-11-1-3-12(4-2-11)16(21)22-13-7-14(18-9-13)15(20)19-5-6-23-10-19/h1-4,13-14,18H,5-7,9-10H2/t13-,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>300n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 15: 641-55 (2006)


Article DOI: 10.1016/j.bmc.2006.10.059
BindingDB Entry DOI: 10.7270/Q21N81X1
More data for this
Ligand-Target Pair