BDBM274 (3S)-3-[(6-{[3-(ethanesulfonyl)benzene]sulfonamidomethyl}pyridin-3-yl)formamido]-4-oxobutanoic acid::(S)-3-({6-[(3-Acetylsulfamoyl-benzenesulfonylamino)-methyl]pyridine-3-carbonyl}amino)-4-oxo-butyric AcidTrifluoroacetate::Inhibitor 55::Pyridine Scaffold 55

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

InChI Key: InChIKey=WJYVXARRCUTRBW-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 = 274   

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))	BDBM274 ((3S)-3-[(6-{[3-(ethanesulfonyl)benzene]sulfonamido...) Show SMILES CC(=O)NS(=O)(=O)c1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C19H20N4O9S2/c1-12(25)23-34(31,32)17-4-2-3-16(8-17)33(29,30)21-10-14-6-5-13(9-20-14)19(28)22-15(11-24)7-18(26)27/h2-6,8-9,11,15,21H,7,10H2,1H3,(H,22,28)(H,23,25)(H,26,27)/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	470	-8.63	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