Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'A disintegrin and metalloproteinase with thrombospondin motifs 4' and Ligand = 'BDBM50122497'   

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 4 (Homo sapiens (Human))	BDBM50122497 (CHEMBL3622498) Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2CCCCC2)cc1)c1cccc(C)c1 Show InChI InChI=1S/C25H30N6O/c1-3-31(22-9-7-8-19(2)16-22)23(32)21-12-10-20(11-13-21)17-26-24-27-18-28-25(29-24)30-14-5-4-6-15-30/h7-13,16,18H,3-6,14-15,17H2,1-2H3,(H,26,27,28,29)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of recombinant human ADAMTS4 (213 to 575 amino acid residues) using WAAG-3R as substrate preincubated for 15 mins followed by substrate ad...				ACS Med Chem Lett 6: 888-93 (2015) Article DOI: 10.1021/acsmedchemlett.5b00138 BindingDB Entry DOI: 10.7270/Q2416ZWQ
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