Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM268'   

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))	BDBM268 ((3S)-3-({6-[(4-hydroxybenzene)sulfonamidomethyl]py...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)cc2)nc1)C=O |r| Show InChI InChI=1S/C17H17N3O7S/c21-10-13(7-16(23)24)20-17(25)11-1-2-12(18-8-11)9-19-28(26,27)15-5-3-14(22)4-6-15/h1-6,8,10,13,19,22H,7,9H2,(H,20,25)(H,23,24)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	-32.2	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