Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 5' and Ligand = 'BDBM50341813'   

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 5 (Homo sapiens (Human))	BDBM50341813 ((1S,2R,3R)-2,3-Dimethyl-1-(7-fluoro-1,2,3,4-tetrah...) Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O |r| Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-11-10-17-18(13-26)24-27-12-16(23)8-9-19(17)27/h3-9,12,14,25H,10-11,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
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