Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 400.4 BDBM153619

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

Found 1 hit 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))	BDBM153619 (US8999975, 136) Show SMILES O=C(N[C@@H](Cc1ccc(cc1)-c1cccc2NC(=O)Cc12)C#N)[C@H]1N[C@@H]2CC[C@H]1C2 |r| Show InChI InChI=1S/C24H24N4O2/c25-13-18(27-24(30)23-16-8-9-17(11-16)26-23)10-14-4-6-15(7-5-14)19-2-1-3-21-20(19)12-22(29)28-21/h1-7,16-18,23,26H,8-12H2,(H,27,30)(H,28,29)/t16-,17+,18-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	47	n/a	n/a	n/a	n/a	6.0	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The following buffers were used: MES buffer: 25 mM MES, 50 mM NaCl, 5 mM DTT, adjusted to pH 6.0, containing 0.1% BSA; TAGZyme Buffer: 20 mM NaH2PO4,...				US Patent US8999975 (2015) BindingDB Entry DOI: 10.7270/Q22806BZ
					More data for this Ligand-Target Pair