Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 662.7 BDBM50466698

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50466698 (CHEMBL4277909) Show SMILES CC(C)[C@@H](N([C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C31H38N2O12S/c1-17(2)27(31(38)39)33(46(40,41)24-14-12-23(13-15-24)22-10-8-7-9-11-22)30-26(32-18(3)34)29(44-21(6)37)28(43-20(5)36)25(45-30)16-42-19(4)35/h7-15,17,25-30H,16H2,1-6H3,(H,32,34)(H,38,39)/t25-,26-,27-,28-,29-,30-/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	4.00E+4	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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