BDBM24028 (2R)-3-methyl-2-{[4-(2-nitrophenyl)benzene]sulfonamido}butanoic acid::biphenylsulfonamide carboxylate, 5

SMILES: CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=SBMQNTYZCCRTHI-MRXNPFEDSA-N

Data: 1 IC50

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 = 24028   

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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM24028 ((2R)-3-methyl-2-{[4-(2-nitrophenyl)benzene]sulfona...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1[N+]([O-])=O)C(O)=O |r| Show InChI InChI=1S/C17H18N2O6S/c1-11(2)16(17(20)21)18-26(24,25)13-9-7-12(8-10-13)14-5-3-4-6-15(14)19(22)23/h3-11,16,18H,1-2H3,(H,20,21)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	7.5	30
Wyeth Research					Assay Description The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...				Bioorg Med Chem Lett 16: 311-6 (2006) Article DOI: 10.1016/j.bmcl.2005.10.001 BindingDB Entry DOI: 10.7270/Q2CJ8BS1
					More data for this Ligand-Target Pair