Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 374.3 BDBM50382274

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 FAP (Mus musculus (Mouse))	BDBM50382274 (CHEMBL2022521) Show SMILES Fc1ccc(cc1F)-c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r| Show InChI InChI=1S/C17H16F2N6O2/c18-13-4-3-11(6-14(13)19)15-9-24(23-22-15)10-16(26)21-8-17(27)25-5-1-2-12(25)7-20/h3-4,6,9,12H,1-2,5,8,10H2,(H,21,26)/t12-/m0/s1	PDB UniProtKB/SwissProt 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
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...				Bioorg Med Chem Lett 22: 3412-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.107 BindingDB Entry DOI: 10.7270/Q27D2W5P
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50382274 (CHEMBL2022521) Show SMILES Fc1ccc(cc1F)-c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r| Show InChI InChI=1S/C17H16F2N6O2/c18-13-4-3-11(6-14(13)19)15-9-24(23-22-15)10-16(26)21-8-17(27)25-5-1-2-12(25)7-20/h3-4,6,9,12H,1-2,5,8,10H2,(H,21,26)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of human recombinant PREP expressed in Escherichia coli assessed as pNA release from Z-Gly-Pro-p-nitroanilide pre-incubated with enzyme fo...				Bioorg Med Chem Lett 22: 3412-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.107 BindingDB Entry DOI: 10.7270/Q27D2W5P
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50382274 (CHEMBL2022521) Show SMILES Fc1ccc(cc1F)-c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r| Show InChI InChI=1S/C17H16F2N6O2/c18-13-4-3-11(6-14(13)19)15-9-24(23-22-15)10-16(26)21-8-17(27)25-5-1-2-12(25)7-20/h3-4,6,9,12H,1-2,5,8,10H2,(H,21,26)/t12-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of human seminal plasma DPP2 assessed as pNA release from Lys-Ala-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...				Bioorg Med Chem Lett 22: 3412-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.107 BindingDB Entry DOI: 10.7270/Q27D2W5P
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50382274 (CHEMBL2022521) Show SMILES Fc1ccc(cc1F)-c1cn(CC(=O)NCC(=O)N2CCC[C@H]2C#N)nn1 |r| Show InChI InChI=1S/C17H16F2N6O2/c18-13-4-3-11(6-14(13)19)15-9-24(23-22-15)10-16(26)21-8-17(27)25-5-1-2-12(25)7-20/h3-4,6,9,12H,1-2,5,8,10H2,(H,21,26)/t12-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UA) Curated by ChEMBL					Assay Description Inhibition of human seminal plasma DPP4 assessed as pNA release from Gly-Pro-p-nitroanilide substrate pre-incubated with enzyme for 15 min prior to s...				Bioorg Med Chem Lett 22: 3412-7 (2012) Article DOI: 10.1016/j.bmcl.2012.03.107 BindingDB Entry DOI: 10.7270/Q27D2W5P
					More data for this Ligand-Target Pair