BDBM271 (3S)-3-({6-[(3-methanesulfonamidobenzene)sulfonamidomethyl]pyridin-3-yl}formamido)-4-oxobutanoic acid::(S)-3-({6-[(4-Methanesulfonylamino-benzenesulfon-ylamino)methyl]pyridine-3-carbonyl}amino)-4-oxo-butyricAcid Trifluoroacetate::Inhibitor 52::Pyridine Scaffold 52

SMILES: CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=YSLPNYJYCBRIOX-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 = 271   

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))	BDBM271 ((3S)-3-({6-[(3-methanesulfonamidobenzene)sulfonami...) Show SMILES CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NCc1ccc(cn1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C18H20N4O8S2/c1-31(27,28)22-13-3-2-4-16(7-13)32(29,30)20-10-14-6-5-12(9-19-14)18(26)21-15(11-23)8-17(24)25/h2-7,9,11,15,20,22H,8,10H2,1H3,(H,21,26)(H,24,25)/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	1.90E+3	-7.80	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals									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