Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 447.9 BDBM153588

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))	BDBM153588 (US8999975, 105) Show SMILES Clc1ccc(nc1)-c1cn(nn1)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)cc1 |r| Show InChI InChI=1S/C23H22ClN7O/c24-16-4-8-20(26-12-16)21-13-31(30-29-21)19-6-1-14(2-7-19)9-18(11-25)28-23(32)22-15-3-5-17(10-15)27-22/h1-2,4,6-8,12-13,15,17-18,22,27H,3,5,9-10H2,(H,28,32)/t15-,17+,18-,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	104	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