Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.4 BDBM50037607

Wt: 414.4 BDBM50088247

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prolyl endopeptidase (Sus scrofa)	BDBM50088247 (CHEMBL303966 | Oxo-{(S)-1-[(S)-1-(4-phenyl-butyryl...) Show SMILES CCOC(=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 Show InChI InChI=1S/C23H30N2O5/c1-2-30-23(29)21(27)18-12-7-16-25(18)22(28)19-13-8-15-24(19)20(26)14-6-11-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3/t18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Prolyl endopeptidase (PEP) from pig kidney using Z-Gly-Pro-p-nitroanilide as substrate				Bioorg Med Chem Lett 4: 831-834 (1994) Article DOI: 10.1016/S0960-894X(01)80857-X BindingDB Entry DOI: 10.7270/Q28W3D8R
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50088247 (CHEMBL303966 | Oxo-{(S)-1-[(S)-1-(4-phenyl-butyryl...) Show SMILES CCOC(=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 Show InChI InChI=1S/C23H30N2O5/c1-2-30-23(29)21(27)18-12-7-16-25(18)22(28)19-13-8-15-24(19)20(26)14-6-11-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3/t18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
NeoGenesis, Inc. Curated by ChEMBL					Assay Description Inhibition of Prolyl endopeptidase activity				J Med Chem 43: 1993-2006 (2000) BindingDB Entry DOI: 10.7270/Q2MP53ZS
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50037607 (CHEMBL333638 | Oxo-{1-[(S)-1-(4-phenyl-butyryl)-py...) Show SMILES CCOC(=O)C(=O)C1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 Show InChI InChI=1S/C23H30N2O5/c1-2-30-23(29)21(27)18-12-7-16-25(18)22(28)19-13-8-15-24(19)20(26)14-6-11-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3/t18?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	n/a
Meiji Seika Kaisha, Ltd Curated by ChEMBL					Assay Description In vitro inhibitory activity against prolyl endopeptidase (PEP)				J Med Chem 37: 3492-502 (1994) BindingDB Entry DOI: 10.7270/Q2RB73N9
					More data for this Ligand-Target Pair