Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 457.3 BDBM50141631

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50141631 ((4-Iodo-phenyl)-carbamic acid (1R,3R)-3-((S)-1-ami...) Show SMILES N[C@@H]([C@@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H24IN3O3/c19-13-4-6-14(7-5-13)21-18(24)25-15-8-3-12(11-15)16(20)17(23)22-9-1-2-10-22/h4-7,12,15-16H,1-3,8-11,20H2,(H,21,24)/t12-,15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/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
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50141631 ((4-Iodo-phenyl)-carbamic acid (1R,3R)-3-((S)-1-ami...) Show SMILES N[C@@H]([C@@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H24IN3O3/c19-13-4-6-14(7-5-13)21-18(24)25-15-8-3-12(11-15)16(20)17(23)22-9-1-2-10-22/h4-7,12,15-16H,1-3,8-11,20H2,(H,21,24)/t12-,15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/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
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50141631 ((4-Iodo-phenyl)-carbamic acid (1R,3R)-3-((S)-1-ami...) Show SMILES N[C@@H]([C@@H]1CC[C@H](C1)OC(=O)Nc1ccc(I)cc1)C(=O)N1CCCC1 Show InChI InChI=1S/C18H24IN3O3/c19-13-4-6-14(7-5-13)21-18(24)25-15-8-3-12(11-15)16(20)17(23)22-9-1-2-10-22/h4-7,12,15-16H,1-3,8-11,20H2,(H,21,24)/t12-,15-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/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