Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50299055'   

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))	BDBM50299055 (CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry				J Med Chem 52: 6347-61 (2009) Article DOI: 10.1021/jm900335a BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50299055 (CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP-12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate a...				J Med Chem 61: 4421-4435 (2018) Article DOI: 10.1021/acs.jmedchem.8b00096 BindingDB Entry DOI: 10.7270/Q26H4M12
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50299055 (CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of autoactivated human pro-MMP12 after 1 hr preincubation by fluorometry				J Med Chem 52: 6347-61 (2009) Article DOI: 10.1021/jm900335a BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50299055 (CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of autoactivated human pro-MMP12 after 30 mins preincubation by fluorometry				J Med Chem 52: 6347-61 (2009) Article DOI: 10.1021/jm900335a BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
					More data for this Ligand-Target Pair				3D Structure (crystal)