Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50466705'   

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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50466705 (CHEMBL4282849) Show SMILES CC(C)[C@@H](N(CCNC(=S)N[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C34H43N3O13S2/c1-19(2)28(33(42)43)37(52(44,45)26-14-12-25(13-15-26)24-10-8-7-9-11-24)17-16-35-34(51)36-32-31(49-23(6)41)30(48-22(5)40)29(47-21(4)39)27(50-32)18-46-20(3)38/h7-15,19,27-32H,16-18H2,1-6H3,(H,42,43)(H2,35,36,51)/t27-,28-,29-,30+,31-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ad...				Bioorg Med Chem 26: 5804-5815 (2018) Article DOI: 10.1016/j.bmc.2018.10.024 BindingDB Entry DOI: 10.7270/Q2SN0CPT
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