Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Granzyme B' and Ligand = 'BDBM50116263'   

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))	BDBM50116263 ((S)-3-{[(S)-(5S,7S)-6-((3S,4S)-2-Acetylamino-3-met...) Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](CC(O)=O)C=O Show InChI InChI=1S/C21H32N4O7/c1-4-11(2)18(22-12(3)27)20(31)24-15-7-5-14-6-8-16(25(14)21(15)32)19(30)23-13(10-26)9-17(28)29/h10-11,13-16,18H,4-9H2,1-3H3,(H,22,27)(H,23,30)(H,24,31)(H,28,29)/t11-,13-,14-,15-,16-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition against human granzyme B				Bioorg Med Chem Lett 12: 2197-200 (2002) BindingDB Entry DOI: 10.7270/Q2WH2P9X
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