Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 512.5 BDBM150543

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))	BDBM150543 (BDBM263789 | US10238633, Example 217 | US8987249, ...) Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H29FN4O4S/c27-24-15-18(17-4-7-23(8-5-17)36(33,34)31-9-11-35-12-10-31)1-2-19(24)13-22(16-28)30-26(32)25-20-3-6-21(14-20)29-25/h1-2,4-5,7-8,15,20-22,25,29H,3,6,9-14H2,(H,30,32)/t20-,21+,22-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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))	BDBM150543 (BDBM263789 | US10238633, Example 217 | US8987249, ...) Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H29FN4O4S/c27-24-15-18(17-4-7-23(8-5-17)36(33,34)31-9-11-35-12-10-31)1-2-19(24)13-22(16-28)30-26(32)25-20-3-6-21(14-20)29-25/h1-2,4-5,7-8,15,20-22,25,29H,3,6,9-14H2,(H,30,32)/t20-,21+,22-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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))	BDBM150543 (BDBM263789 | US10238633, Example 217 | US8987249, ...) Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H29FN4O4S/c27-24-15-18(17-4-7-23(8-5-17)36(33,34)31-9-11-35-12-10-31)1-2-19(24)13-22(16-28)30-26(32)25-20-3-6-21(14-20)29-25/h1-2,4-5,7-8,15,20-22,25,29H,3,6,9-14H2,(H,30,32)/t20-,21+,22-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.70	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