Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.3 BDBM50428828

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))	BDBM50428828 (CHEMBL2337131) Show SMILES ONC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl Show InChI InChI=1S/C22H18Cl2N2O5S/c23-15-6-9-19(24)20(13-15)32(29,30)26-11-10-14-12-17(31-16-4-2-1-3-5-16)7-8-18(14)21(26)22(27)25-28/h1-9,12-13,21,28H,10-11H2,(H,25,27)	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	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of MMP12 (unknown origin)				Eur J Med Chem 60: 89-100 (2013) Article DOI: 10.1016/j.ejmech.2012.10.016 BindingDB Entry DOI: 10.7270/Q2MC91CR
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