Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.4 BDBM100315

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
Chymase (Homo sapiens (Human))	BDBM100315 (US8501749, 15) Show SMILES CC[C@@H](CC(O)=O)n1c(=O)n(Cc2nsc3cc(C)cc(C)c23)c2cccnc2c1=O |r| Show InChI InChI=1S/C22H22N4O4S/c1-4-14(10-18(27)28)26-21(29)20-16(6-5-7-23-20)25(22(26)30)11-15-19-13(3)8-12(2)9-17(19)31-24-15/h5-9,14H,4,10-11H2,1-3H3,(H,27,28)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	28
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro inhibition assay of Chymase.				US Patent US8501749 (2013) BindingDB Entry DOI: 10.7270/Q28G8JB2
					More data for this Ligand-Target Pair