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 = 'BDBM398042'   

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))	BDBM398042 (US10322143, Compound 1 | US10323000, Compound 1 | ...) Show SMILES CC1CC(F)(F)CC(O)(CNC(=O)c2cn(CC(F)(F)F)c3cccc(Cl)c23)C1 Show InChI InChI=1S/C19H20ClF5N2O2/c1-11-5-17(29,8-18(21,22)6-11)9-26-16(28)12-7-27(10-19(23,24)25)14-4-2-3-13(20)15(12)14/h2-4,7,11,29H,5-6,8-10H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca					Assay Description Protein concentrations were measured using the Micro BCA Protein Assay Kit (Pierce/Thermo Scientific, IL). Sample buffer was mixed with 5-25 μg ...				Bioorg Med Chem Lett 19: 4280-3 (2009) BindingDB Entry DOI: 10.7270/Q2BC41VN
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