Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 466.5 BDBM50247268

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

Found 2 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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50247268 ((2S,4S)-Methyl 1-(3-(3,4-dimethoxyphenyl)propanoyl...) Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)CCc1ccc(OC)c(OC)c1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C26H30N2O6/c1-32-22-12-9-19(15-23(22)33-2)11-14-25(30)28-17-20(16-21(28)26(31)34-3)27-24(29)13-10-18-7-5-4-6-8-18/h4-10,12-13,15,20-21H,11,14,16-17H2,1-3H3,(H,27,29)/b13-10+/t20-,21-/m0/s1	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin) by microtiter plate fluorimetric assay				Eur J Med Chem 43: 2130-9 (2008) Article DOI: 10.1016/j.ejmech.2007.12.020 BindingDB Entry DOI: 10.7270/Q22J6BNP
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50247268 ((2S,4S)-Methyl 1-(3-(3,4-dimethoxyphenyl)propanoyl...) Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)CCc1ccc(OC)c(OC)c1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C26H30N2O6/c1-32-22-12-9-19(15-23(22)33-2)11-14-25(30)28-17-20(16-21(28)26(31)34-3)27-24(29)13-10-18-7-5-4-6-8-18/h4-10,12-13,15,20-21H,11,14,16-17H2,1-3H3,(H,27,29)/b13-10+/t20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of aminopeptidase N (unknown origin) by microtiter plate fluorimetric assay				Eur J Med Chem 43: 2130-9 (2008) Article DOI: 10.1016/j.ejmech.2007.12.020 BindingDB Entry DOI: 10.7270/Q22J6BNP
					More data for this Ligand-Target Pair