BDBM231 (S)-5-{[3-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)is-oxazol-5-ylmethyl]sulfamoyl}-2-hydroxy-benzoic Acid::5-{[(3-{[(2S)-1-carboxy-3-oxopropan-2-yl]carbamoyl}-1,2-oxazol-5-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid::Heterocyclic deriv. 65a::Inhibitor 65a

SMILES: OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C=O

InChI Key: InChIKey=JETOFKFBJLQWCA-QMMMGPOBSA-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 = 231   

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))	BDBM231 ((S)-5-{[3-(1-Carboxymethyl-2-oxo-ethylcarbamoyl)is...) Show SMILES OC(=O)C[C@H](NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)on1)C=O |r| Show InChI InChI=1S/C16H15N3O10S/c20-7-8(3-14(22)23)18-15(24)12-4-9(29-19-12)6-17-30(27,28)10-1-2-13(21)11(5-10)16(25)26/h1-2,4-5,7-8,17,21H,3,6H2,(H,18,24)(H,22,23)(H,25,26)/t8-/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	160	-9.26	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
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