Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Granzyme B' and Ligand = 'BDBM50374383'   

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))	BDBM50374383 (CHEMBL436855) 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)c1nc2ccccc2s1 Show InChI InChI=1S/C32H35N5O7S/c1-4-16(2)26(33-17(3)38)30(43)34-21-13-12-18-8-7-9-19-14-23(37(27(18)19)32(21)44)29(42)35-22(15-25(39)40)28(41)31-36-20-10-5-6-11-24(20)45-31/h5-11,16,21-23,26H,4,12-15H2,1-3H3,(H,33,38)(H,34,43)(H,35,42)(H,39,40)/t16-,21-,22-,23-,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	85	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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