Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 353.3 BDBM150506

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 1 (Homo sapiens (Human))	BDBM150506 (US10238633, Example 180 | US8987249, 180 | US97136...) Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-n1cccn1 |r| Show InChI InChI=1S/C19H20FN5O/c20-17-10-16(25-7-1-6-22-25)5-3-12(17)8-15(11-21)24-19(26)18-13-2-4-14(9-13)23-18/h1,3,5-7,10,13-15,18,23H,2,4,8-9H2,(H,24,26)/t13-,14+,15-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...				US Patent US8987249 (2015) BindingDB Entry DOI: 10.7270/Q2KP80WG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM150506 (US10238633, Example 180 | US8987249, 180 | US97136...) Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-n1cccn1 |r| Show InChI InChI=1S/C19H20FN5O/c20-17-10-16(25-7-1-6-22-25)5-3-12(17)8-15(11-21)24-19(26)18-13-2-4-14(9-13)23-18/h1,3,5-7,10,13-15,18,23H,2,4,8-9H2,(H,24,26)/t13-,14+,15-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q22R3TZF
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM150506 (US10238633, Example 180 | US8987249, 180 | US97136...) Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-n1cccn1 |r| Show InChI InChI=1S/C19H20FN5O/c20-17-10-16(25-7-1-6-22-25)5-3-12(17)8-15(11-21)24-19(26)18-13-2-4-14(9-13)23-18/h1,3,5-7,10,13-15,18,23H,2,4,8-9H2,(H,24,26)/t13-,14+,15-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.70	n/a	n/a	n/a	n/a	6.0	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Microtiterplates (Optiplate-384 F) were purchased from PerkinElmer (Prod. No. 6007270). The substrate Gly-Arg-AMC was from Biotrend (Prod....				US Patent US9713606 (2017) BindingDB Entry DOI: 10.7270/Q21G0P8M
					More data for this Ligand-Target Pair