Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM266'   

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
Caspase-3 (Homo sapiens (Human))	BDBM266 (5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C=O |r| Show InChI InChI=1S/C17H22N2O9S/c20-10-11(8-16(23)24)19-15(22)4-2-1-3-7-18-29(27,28)12-5-6-14(21)13(9-12)17(25)26/h5-6,9-11,18,21H,1-4,7-8H2,(H,19,22)(H,23,24)(H,25,26)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	2.80E+3	-31.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals									J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM266 (5-[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C=O |r| Show InChI InChI=1S/C17H22N2O9S/c20-10-11(8-16(23)24)19-15(22)4-2-1-3-7-18-29(27,28)12-5-6-14(21)13(9-12)17(25)26/h5-6,9-11,18,21H,1-4,7-8H2,(H,19,22)(H,23,24)(H,25,26)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+3	-30.5	n/a	n/a	n/a	n/a	n/a	7.4	22
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				Bioorg Med Chem Lett 13: 3651-5 (2003) Article DOI: 10.1016/j.bmcl.2003.08.024 BindingDB Entry DOI: 10.7270/Q2MK6B3T
					More data for this Ligand-Target Pair