Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 4' and Ligand = 'BDBM24041'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 (Homo sapiens (Human))	BDBM24041 ((2R)-2-({4-[4-(furan-2-ylcarbonyloxy)phenyl]benzen...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(OC(=O)c2ccco2)cc1)C(O)=O |r| Show InChI InChI=1S/C22H21NO7S/c1-14(2)20(21(24)25)23-31(27,28)18-11-7-16(8-12-18)15-5-9-17(10-6-15)30-22(26)19-4-3-13-29-19/h3-14,20,23H,1-2H3,(H,24,25)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.16E+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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