Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.5 BDBM50291163

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

Found 4 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)	BDBM50291163 (4-Phenyl-1-{(S)-2-[(R)-2-(thiazole-2-carbonyl)-pyr...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)c1nccs1 Show InChI InChI=1S/C23H27N3O3S/c27-20(12-4-9-17-7-2-1-3-8-17)25-14-6-11-19(25)23(29)26-15-5-10-18(26)21(28)22-24-13-16-30-22/h1-3,7-8,13,16,18-19H,4-6,9-12,14-15H2/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for the inhibitory activity against prolyl endo peptidase(PEP) enzyme				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Sus scrofa)	BDBM50291163 (4-Phenyl-1-{(S)-2-[(R)-2-(thiazole-2-carbonyl)-pyr...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)c1nccs1 Show InChI InChI=1S/C23H27N3O3S/c27-20(12-4-9-17-7-2-1-3-8-17)25-14-6-11-19(25)23(29)26-15-5-10-18(26)21(28)22-24-13-16-30-22/h1-3,7-8,13,16,18-19H,4-6,9-12,14-15H2/t18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.02E+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
Serine protease 1 (Bos taurus (bovine))	BDBM50291163 (4-Phenyl-1-{(S)-2-[(R)-2-(thiazole-2-carbonyl)-pyr...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)c1nccs1 Show InChI InChI=1S/C23H27N3O3S/c27-20(12-4-9-17-7-2-1-3-8-17)25-14-6-11-19(25)23(29)26-15-5-10-18(26)21(28)22-24-13-16-30-22/h1-3,7-8,13,16,18-19H,4-6,9-12,14-15H2/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of trypsin				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50291163 (4-Phenyl-1-{(S)-2-[(R)-2-(thiazole-2-carbonyl)-pyr...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)c1nccs1 Show InChI InChI=1S/C23H27N3O3S/c27-20(12-4-9-17-7-2-1-3-8-17)25-14-6-11-19(25)23(29)26-15-5-10-18(26)21(28)22-24-13-16-30-22/h1-3,7-8,13,16,18-19H,4-6,9-12,14-15H2/t18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 7: 533-538 (1997) Article DOI: 10.1016/S0960-894X(97)00057-7 BindingDB Entry DOI: 10.7270/Q28S4QF2
					More data for this Ligand-Target Pair