Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM10368'   

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))	BDBM10368 (1,4-diethyl (2R)-2-({4-[2-(acetyloxy)ethyl]-12-(mo...) Show SMILES CCOC(=O)C[C@@H](Nc1nc2ccc(cc2c2C(=O)N(CCOC(C)=O)C(=O)c12)S(=O)(=O)N1CCOCC1)C(=O)OCC |r| Show InChI InChI=1S/C27H32N4O11S/c1-4-40-21(33)15-20(27(36)41-5-2)29-24-23-22(25(34)31(26(23)35)10-13-42-16(3)32)18-14-17(6-7-19(18)28-24)43(37,38)30-8-11-39-12-9-30/h6-7,14,20H,4-5,8-13,15H2,1-3H3,(H,28,29)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.19E+3	n/a	n/a	n/a	n/a	7.5	22
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
					More data for this Ligand-Target Pair