Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Granzyme B' and Ligand = 'BDBM50374384'   

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
Granzyme B (Homo sapiens (Human))	BDBM50374384 (CHEMBL255387) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CC(O)=O)C(=O)c1nnc(o1)-c1ccccc1 Show InChI InChI=1S/C33H36N6O8/c1-4-17(2)26(34-18(3)40)30(45)35-22-14-13-19-11-8-12-21-15-24(39(27(19)21)33(22)46)29(44)36-23(16-25(41)42)28(43)32-38-37-31(47-32)20-9-6-5-7-10-20/h5-12,17,22-24,26H,4,13-16H2,1-3H3,(H,34,40)(H,35,45)(H,36,44)(H,41,42)/t17-,22-,23-,24-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of granzyme B				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
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