Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 472.5 BDBM153613

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))	BDBM153613 (US8999975, 130) Show SMILES COCCCN1C(=O)Cc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)cc1 |r| Show InChI InChI=1S/C28H32N4O3/c1-35-12-2-11-32-25-15-20(7-8-21(25)16-26(32)33)19-5-3-18(4-6-19)13-24(17-29)31-28(34)27-22-9-10-23(14-22)30-27/h3-8,15,22-24,27,30H,2,9-14,16H2,1H3,(H,31,34)/t22-,23+,24-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	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