Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Granzyme B' and Ligand = 'BDBM50116255'   

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))	BDBM50116255 ((2S,5S)-5-((S)-3-(S)-Methyl-2-phenylacetylamino-pe...) Show SMILES CC[C@H](C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCc1cn[nH]c1 Show InChI InChI=1S/C31H36N6O4/c1-3-19(2)27(36-26(38)14-20-8-5-4-6-9-20)30(40)35-24-13-12-22-10-7-11-23-15-25(37(28(22)23)31(24)41)29(39)32-16-21-17-33-34-18-21/h4-11,17-19,24-25,27H,3,12-16H2,1-2H3,(H,32,39)(H,33,34)(H,35,40)(H,36,38)/t19-,24-,25-,27-/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	13	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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