Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.3 BDBM138124

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))	BDBM138124 (US8871783, 10) Show SMILES Brc1ccc2sc(CC(NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)C#N)cc2c1 |r| Show InChI InChI=1S/C18H18BrN3OS/c19-12-2-4-16-11(5-12)7-15(24-16)8-14(9-20)22-18(23)17-10-1-3-13(6-10)21-17/h2,4-5,7,10,13-14,17,21H,1,3,6,8H2,(H,22,23)/t10-,13+,14?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	35.8	-42.5	n/a	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 US8871783 (2014) BindingDB Entry DOI: 10.7270/Q2F18XF1
					More data for this Ligand-Target Pair