Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 512.5 BDBM10213

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM10213 (5-({[5-(1-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbam...) Show SMILES CCCC(C(=O)N[C@@H](CC(O)=O)C=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1 |r| Show InChI InChI=1S/C21H24N2O9S2/c1-2-3-15(20(28)23-12(11-24)8-19(26)27)18-7-4-13(33-18)10-22-34(31,32)14-5-6-17(25)16(9-14)21(29)30/h4-7,9,11-12,15,22,25H,2-3,8,10H2,1H3,(H,23,28)(H,26,27)(H,29,30)/t12-,15?/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	300	-37.2	n/a	n/a	n/a	n/a	n/a	n/a	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 ...				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