BDBM258 (S)-5-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-thiophen-3-ylmethyl]sulfamoyl}-2-hydroxy-benzoic Acid::5-{[(5-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}thiophen-3-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 68a::Inhibitor 68a

SMILES: OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cs1)C=O

InChI Key: InChIKey=XTYAXJSXJWVVFZ-JTQLQIEISA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 258   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM258 ((S)-5-{[5-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)-t...) Show SMILES OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)cs1)C=O |r| Show InChI InChI=1S/C17H16N2O9S2/c20-7-10(4-15(22)23)19-16(24)14-3-9(8-29-14)6-18-30(27,28)11-1-2-13(21)12(5-11)17(25)26/h1-3,5,7-8,10,18,21H,4,6H2,(H,19,24)(H,22,23)(H,25,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+3	-7.36	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