Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM50160991'   

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))	BDBM50160991 ((S)-3-(2-{3-[(4-Methyl-furazan-3-ylmethyl)-amino]-...) Show SMILES CCCN(C)CNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Show InChI InChI=1S/C22H34N8O6/c1-5-8-29(4)13-23-12-18(31)15(10-19(32)33)26-21(34)17(6-2)30-9-7-24-20(22(30)35)25-11-16-14(3)27-36-28-16/h7,9,15,17,23H,5-6,8,10-13H2,1-4H3,(H,24,25)(H,26,34)(H,32,33)/t15-,17?/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	n/a	n/a	0.0170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human caspase-3 in neuronal precursor (NT2) cells				Bioorg Med Chem Lett 15: 1173-80 (2005) Article DOI: 10.1016/j.bmcl.2004.12.006 BindingDB Entry DOI: 10.7270/Q2D50MGS
					More data for this Ligand-Target Pair