BDBM12054 (3S)-3-{[2-(3-acetamidophenyl)benzene]sulfonamido}-4-oxobutanoic acid::(S)-3-(3-Acetylamino-biphenyl-2-sulfonylamino)-4-oxo-butyric acid::arylsulfonamide analogue 18

SMILES: CC(=O)Nc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O

InChI Key: InChIKey=GKCMBVXIDHHNSD-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 = 12054   

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))	BDBM12054 ((3S)-3-{[2-(3-acetamidophenyl)benzene]sulfonamido}...) Show SMILES CC(=O)Nc1cccc(c1)-c1ccccc1S(=O)(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C18H18N2O6S/c1-12(22)19-14-6-4-5-13(9-14)16-7-2-3-8-17(16)27(25,26)20-15(11-21)10-18(23)24/h2-9,11,15,20H,10H2,1H3,(H,19,22)(H,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	-8.00	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 10: 31-40 (2002) Article DOI: 10.1016/s0968-0896(01)00250-4 BindingDB Entry DOI: 10.7270/Q2BP011G
					More data for this Ligand-Target Pair