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 = 'BDBM50279416'   

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))	BDBM50279416 (CHEMBL452642 | D-3-(1-(biphenyl-2-ylmethyl)-1H-ind...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1cn(Cc2ccccc2-c2ccccc2)c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C34H30N2O5S/c1-2-3-21-41-28-17-19-29(20-18-28)42(39,40)35-32(34(37)38)22-27-24-36(33-16-10-9-15-31(27)33)23-26-13-7-8-14-30(26)25-11-5-4-6-12-25/h4-20,24,32,35H,21-23H2,1H3,(H,37,38)/t32-/m1/s1	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	970	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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