Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50038291   

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
					More data for this Ligand-Target Pair
Granzyme B (Homo sapiens (Human))	BDBM50374286 (CHEMBL428244) 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 Show InChI InChI=1S/C25H32N4O7/c1-4-13(2)21(26-14(3)31)24(35)28-18-9-8-15-6-5-7-16-10-19(29(22(15)16)25(18)36)23(34)27-17(12-30)11-20(32)33/h5-7,12-13,17-19,21H,4,8-11H2,1-3H3,(H,26,31)(H,27,34)(H,28,35)(H,32,33)/t13-,17-,18-,19-,21-/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	8	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
					More data for this Ligand-Target Pair
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
					More data for this Ligand-Target Pair