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 = 'BDBM50341803'   

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))	BDBM50341803 ((1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrazino[...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)nc1cc(F)ccc21)C(O)=O |r| Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-9-10-26-17-8-7-15(22)11-16(17)23-18(26)12-25/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/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	20	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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