Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM254'   

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))	BDBM254 ((S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfa...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(s1)S(=O)(=O)NCc1ccc(O)c(c1)C(O)=O)C(=O)CSCc1ccccc1Cl |r| Show InChI InChI=1S/C25H23ClN2O9S3/c26-17-4-2-1-3-15(17)12-38-13-20(30)18(10-22(31)32)28-24(33)21-7-8-23(39-21)40(36,37)27-11-14-5-6-19(29)16(9-14)25(34)35/h1-9,18,27,29H,10-13H2,(H,28,33)(H,31,32)(H,34,35)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	1.90E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	25
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 ...				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