Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.5 BDBM153616

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))	BDBM153616 (US8999975, 133) Show SMILES CN1C(=O)C(C)(O)c2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)cc1 |r| Show InChI InChI=1S/C26H28N4O3/c1-26(33)21-10-8-17(13-22(21)30(2)25(26)32)16-5-3-15(4-6-16)11-20(14-27)29-24(31)23-18-7-9-19(12-18)28-23/h3-6,8,10,13,18-20,23,28,33H,7,9,11-12H2,1-2H3,(H,29,31)/t18-,19+,20-,23-,26?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	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