BindingDB logo
myBDB logout

BDBM50206038 ((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone::CHEMBL391466

SMILES: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1

InChI Key: InChIKey=ZHJLERMYNKCYGH-IRXDYDNUSA-N

Data: 8 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 8 hits for monomerid = 50206038   
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))
BDBM50206038
PNG
(((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/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 Lett 17: 2618-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.110
BindingDB Entry DOI: 10.7270/Q29023GP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50206038
PNG
(((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/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 1.60n/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 Lett 17: 2618-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.110
BindingDB Entry DOI: 10.7270/Q29023GP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50206038
PNG
(((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/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 1.60n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


Bioorg Med Chem 20: 5033-41 (2012)


Article DOI: 10.1016/j.bmc.2012.06.033
BindingDB Entry DOI: 10.7270/Q20Z74B2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50206038
PNG
(((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human DPP9 using GLY-Pro-MCA as substrate after 30 mins by cell-based fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50206038
PNG
(((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30.2n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP9 using Gly-Pro-MCA as substrate after 30 mins by fluorometry


Bioorg Med Chem 20: 5033-41 (2012)


Article DOI: 10.1016/j.bmc.2012.06.033
BindingDB Entry DOI: 10.7270/Q20Z74B2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50206038
PNG
(((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/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 1.60n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50206038
PNG
(((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human DPP8 using GLY-Pro-MCA as substrate after 30 mins by cell-based fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50206038
PNG
(((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12.2n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 using Gly-Pro-MCA as substrate after 30 mins by fluorometry


Bioorg Med Chem 20: 5033-41 (2012)


Article DOI: 10.1016/j.bmc.2012.06.033
BindingDB Entry DOI: 10.7270/Q20Z74B2
More data for this
Ligand-Target Pair