BDBM24039 (2R)-3-methyl-2-[(4-phenylbenzene)(pyridin-3-ylmethyl)sulfonamido]butanoic acid::biphenylsulfonamide carboxylate, 16

SMILES: CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O

InChI Key: InChIKey=XOCKHINDKKEVNK-JOCHJYFZSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 24039   

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))	BDBM24039 ((2R)-3-methyl-2-[(4-phenylbenzene)(pyridin-3-ylmet...) Show SMILES CC(C)[C@@H](N(Cc1cccnc1)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H24N2O4S/c1-17(2)22(23(26)27)25(16-18-7-6-14-24-15-18)30(28,29)21-12-10-20(11-13-21)19-8-4-3-5-9-19/h3-15,17,22H,16H2,1-2H3,(H,26,27)/t22-/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	1.20E+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
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