Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50466695'   

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))	BDBM50466695 (CHEMBL4283171) Show SMILES CC(C)[C@@H](N(CCNC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H35N3O9S2/c1-15(2)20(25(34)35)29(40(36,37)18-10-8-17(9-11-18)16-6-4-3-5-7-16)13-12-27-26(39)28-24-23(33)22(32)21(31)19(14-30)38-24/h3-11,15,19-24,30-33H,12-14H2,1-2H3,(H,34,35)(H2,27,28,39)/t19-,20-,21-,22+,23-,24-/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	98	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
					More data for this Ligand-Target Pair