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 = 'BDBM50122490'   

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))	BDBM50122490 (CHEMBL3622477) Show SMILES CCN(C(=O)c1ccc(CNc2nc(NCN3CCN(C)CC3)nc(n2)N2CCCc3ccccc23)cc1)c1cccc(C)c1 Show InChI InChI=1S/C35H43N9O/c1-4-43(30-12-7-9-26(2)23-30)32(45)29-16-14-27(15-17-29)24-36-33-38-34(37-25-42-21-19-41(3)20-22-42)40-35(39-33)44-18-8-11-28-10-5-6-13-31(28)44/h5-7,9-10,12-17,23H,4,8,11,18-22,24-25H2,1-3H3,(H2,36,37,38,39,40)	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	6.50E+3	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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