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 = 'BDBM50341802'   

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))	BDBM50341802 ((1S,2R,3R)-2-Methyl-3-phenyl-1-(1,2,3,4-tetrahydro...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)nc1ccccc21)C(O)=O |r| Show InChI InChI=1S/C21H22N4O4S/c1-14-19(15-7-3-2-4-8-15)21(14,20(26)27)23-30(28,29)24-11-12-25-17-10-6-5-9-16(17)22-18(25)13-24/h2-10,14,19,23H,11-13H2,1H3,(H,26,27)/t14-,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	92	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
					More data for this Ligand-Target Pair