Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 421.3 BDBM50251786

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

Found 5 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))	BDBM50251786 ((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3-(trifluorome...) Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O/c21-11-4-12(5-25)29(8-11)18(30)7-27-19-14-9-28(10-15(14)19)17-3-1-2-16(13(17)6-26)20(22,23)24/h1-3,11-12,14-15,19,27H,4,7-10H2/t11-,12-,14-,15+,19+/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/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 18: 4087-91 (2008) Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50251786 ((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3-(trifluorome...) Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O/c21-11-4-12(5-25)29(8-11)18(30)7-27-19-14-9-28(10-15(14)19)17-3-1-2-16(13(17)6-26)20(22,23)24/h1-3,11-12,14-15,19,27H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP2 (unknown origin)				Bioorg Med Chem Lett 18: 4087-91 (2008) Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50251786 ((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3-(trifluorome...) Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O/c21-11-4-12(5-25)29(8-11)18(30)7-27-19-14-9-28(10-15(14)19)17-3-1-2-16(13(17)6-26)20(22,23)24/h1-3,11-12,14-15,19,27H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP9 (unknown origin)				Bioorg Med Chem Lett 18: 4087-91 (2008) Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50251786 ((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3-(trifluorome...) Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O/c21-11-4-12(5-25)29(8-11)18(30)7-27-19-14-9-28(10-15(14)19)17-3-1-2-16(13(17)6-26)20(22,23)24/h1-3,11-12,14-15,19,27H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP8 (unknown origin)				Bioorg Med Chem Lett 18: 4087-91 (2008) Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50251786 ((2S,4S)-1-(2-((1S,5R,6s)-3-(2-cyano-3-(trifluorome...) Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CN[C@@H]1[C@H]2CN(C[C@@H]12)c1cccc(c1C#N)C(F)(F)F |r| Show InChI InChI=1S/C20H19F4N5O/c21-11-4-12(5-25)29(8-11)18(30)7-27-19-14-9-28(10-15(14)19)17-3-1-2-16(13(17)6-26)20(22,23)24/h1-3,11-12,14-15,19,27H,4,7-10H2/t11-,12-,14-,15+,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PPCE (unknown origin)				Bioorg Med Chem Lett 18: 4087-91 (2008) Article DOI: 10.1016/j.bmcl.2008.05.101 BindingDB Entry DOI: 10.7270/Q2T153FC
					More data for this Ligand-Target Pair