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 = 'BDBM50122495'   

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))	BDBM50122495 (CHEMBL3622496) Show SMILES CCN(C(=O)c1ccc(CNc2ncnc(n2)N2Cc3ccccc3C2)cc1)c1cccc(C)c1 Show InChI InChI=1S/C28H28N6O/c1-3-34(25-10-6-7-20(2)15-25)26(35)22-13-11-21(12-14-22)16-29-27-30-19-31-28(32-27)33-17-23-8-4-5-9-24(23)18-33/h4-15,19H,3,16-18H2,1-2H3,(H,29,30,31,32)	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	5.60E+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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