Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.4 BDBM50180603

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

Found 3 hits 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))	BDBM50180603 (3-(4-Phenylethynylbenzoyl)nonanoic acid | CHEMBL20...) Show SMILES CCCCCCC(CC(O)=O)C(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C24H26O3/c1-2-3-4-8-11-22(18-23(25)26)24(27)21-16-14-20(15-17-21)13-12-19-9-6-5-7-10-19/h5-7,9-10,14-17,22H,2-4,8,11,18H2,1H3,(H,25,26)	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	450	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against MMP12				J Med Chem 49: 456-8 (2006) Article DOI: 10.1021/jm051101g BindingDB Entry DOI: 10.7270/Q2WQ03C3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50180603 (3-(4-Phenylethynylbenzoyl)nonanoic acid | CHEMBL20...) Show SMILES CCCCCCC(CC(O)=O)C(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C24H26O3/c1-2-3-4-8-11-22(18-23(25)26)24(27)21-16-14-20(15-17-21)13-12-19-9-6-5-7-10-19/h5-7,9-10,14-17,22H,2-4,8,11,18H2,1H3,(H,25,26)	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	1.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against MMP2				J Med Chem 49: 456-8 (2006) Article DOI: 10.1021/jm051101g BindingDB Entry DOI: 10.7270/Q2WQ03C3
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50180603 (3-(4-Phenylethynylbenzoyl)nonanoic acid | CHEMBL20...) Show SMILES CCCCCCC(CC(O)=O)C(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C24H26O3/c1-2-3-4-8-11-22(18-23(25)26)24(27)21-16-14-20(15-17-21)13-12-19-9-6-5-7-10-19/h5-7,9-10,14-17,22H,2-4,8,11,18H2,1H3,(H,25,26)	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	5.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibitory activity against MMP9				J Med Chem 49: 456-8 (2006) Article DOI: 10.1021/jm051101g BindingDB Entry DOI: 10.7270/Q2WQ03C3
					More data for this Ligand-Target Pair