BDBM12063 (3S)-4-oxo-3-({2-[4-(propan-2-yl)phenoxy]benzene}sulfonamido)butanoic acid::Diphenyl Ether Sulfonamide 9

SMILES: CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1

InChI Key: InChIKey=AEPYMMPLKGNMAN-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 = 12063   

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-1 (Homo sapiens (Human))	BDBM12063 ((3S)-4-oxo-3-({2-[4-(propan-2-yl)phenoxy]benzene}s...) Show SMILES CC(C)c1ccc(Oc2ccccc2S(=O)(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C19H21NO6S/c1-13(2)14-7-9-16(10-8-14)26-17-5-3-4-6-18(17)27(24,25)20-15(12-21)11-19(22)23/h3-10,12-13,15,20H,11H2,1-2H3,(H,22,23)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	620	-8.80	n/a	n/a	n/a	n/a	n/a	7.0	37
Pfizer					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 11: 2779-82 (2001) Article DOI: 10.1016/s0960-894x(01)00573-x BindingDB Entry DOI: 10.7270/Q26W9896
					More data for this Ligand-Target Pair