Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50279027'   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50279027 (CHEMBL449262 | rac-3-(1-(benzo[d][1,3]dioxol-5-ylm...) Show SMILES COc1ccc2n(Cc3ccc4OCOc4c3)cc(CC(NS(=O)(=O)c3ccc(OCC#CC)cc3)C(O)=O)c2c1 Show InChI InChI=1S/C30H28N2O8S/c1-3-4-13-38-22-6-9-24(10-7-22)41(35,36)31-26(30(33)34)15-21-18-32(27-11-8-23(37-2)16-25(21)27)17-20-5-12-28-29(14-20)40-19-39-28/h5-12,14,16,18,26,31H,13,15,17,19H2,1-2H3,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem 17: 3857-65 (2009) Article DOI: 10.1016/j.bmc.2009.04.033 BindingDB Entry DOI: 10.7270/Q2DR2VCZ
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