BDBM273 (3S)-3-[(6-{[3-(methanesulfonylcarbamoyl)benzene]sulfonamidomethyl}pyridin-3-yl)formamido]-4-oxobutanoic acid::(S)-3-({6-[(3-Methanesulfonylaminocarbonyl-benzene-sulfonylamino)methyl]-pyridine-3-carbonyl}amino)-4-oxo-butyric Acid Trifluoroacetate::Inhibitor 54::Pyridine Scaffold 54

SMILES: CS(=O)(=O)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=XJBQVBPGIOOPMP-HNNXBMFYSA-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 = 273   

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))	BDBM273 ((3S)-3-[(6-{[3-(methanesulfonylcarbamoyl)benzene]s...) Show SMILES CS(=O)(=O)NC(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C19H20N4O9S2/c1-33(29,30)23-19(28)12-3-2-4-16(7-12)34(31,32)21-10-14-6-5-13(9-20-14)18(27)22-15(11-24)8-17(25)26/h2-7,9,11,15,21H,8,10H2,1H3,(H,22,27)(H,23,28)(H,25,26)/t15-/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	1.40E+3	-7.98	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