Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 424.5 BDBM153568

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))	BDBM153568 (US8999975, 85) Show SMILES CS(=O)(=O)c1ccc(nc1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)cc1 |r| Show InChI InChI=1S/C22H24N4O3S/c1-30(28,29)19-8-9-20(24-13-19)15-4-2-14(3-5-15)10-18(12-23)26-22(27)21-16-6-7-17(11-16)25-21/h2-5,8-9,13,16-18,21,25H,6-7,10-11H2,1H3,(H,26,27)/t16-,17+,18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	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
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