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BDBM50141658 CHEMBL168986::N-[(1S,3S)-3-((S)-1-Amino-2-oxo-2-pyrrolidin-1-yl-ethyl)-cyclopentyl]-4-methanesulfonyl-benzenesulfonamide

SMILES: CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1

InChI Key: InChIKey=SCJLBSUVLVWJKA-ZQIUZPCESA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50141658   
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))
BDBM50141658
PNG
(CHEMBL168986 | N-[(1S,3S)-3-((S)-1-Amino-2-oxo-2-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C18H27N3O5S2/c1-27(23,24)15-6-8-16(9-7-15)28(25,26)20-14-5-4-13(12-14)17(19)18(22)21-10-2-3-11-21/h6-9,13-14,17,20H,2-5,10-12,19H2,1H3/t13-,14-,17-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human recombinant Dipeptidyl-peptidase IV


Bioorg Med Chem Lett 14: 859-63 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.013
BindingDB Entry DOI: 10.7270/Q22V2FJ5
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Homo sapiens (Human))
BDBM50141658
PNG
(CHEMBL168986 | N-[(1S,3S)-3-((S)-1-Amino-2-oxo-2-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C18H27N3O5S2/c1-27(23,24)15-6-8-16(9-7-15)28(25,26)20-14-5-4-13(12-14)17(19)18(22)21-10-2-3-11-21/h6-9,13-14,17,20H,2-5,10-12,19H2,1H3/t13-,14-,17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human prolylendopeptidase


Bioorg Med Chem Lett 14: 859-63 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.013
BindingDB Entry DOI: 10.7270/Q22V2FJ5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50141658
PNG
(CHEMBL168986 | N-[(1S,3S)-3-((S)-1-Amino-2-oxo-2-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@@H](C1)[C@H](N)C(=O)N1CCCC1
Show InChI InChI=1S/C18H27N3O5S2/c1-27(23,24)15-6-8-16(9-7-15)28(25,26)20-14-5-4-13(12-14)17(19)18(22)21-10-2-3-11-21/h6-9,13-14,17,20H,2-5,10-12,19H2,1H3/t13-,14-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human quiescent cell proline dipeptidase


Bioorg Med Chem Lett 14: 859-63 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.013
BindingDB Entry DOI: 10.7270/Q22V2FJ5
More data for this
Ligand-Target Pair