Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 445.4 BDBM50351031

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
Aminopeptidase N (Sus scrofa (Pig))	BDBM50351031 (CHEMBL1819330) Show SMILES N[C@@H](CNC(=O)[C@@H](O)CNC(=O)[C@H](N)Cc1ccccc1)[C@@H](O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H27N5O6/c22-16(10-13-4-2-1-3-5-13)20(29)25-12-18(27)21(30)24-11-17(23)19(28)14-6-8-15(9-7-14)26(31)32/h1-9,16-19,27-28H,10-12,22-23H2,(H,24,30)(H,25,29)/t16-,17+,18+,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of pig kidney microsomal APN assessed as hydrolysis of L-Leu-p-nitroanilide after 1 hr by spectrophotometry				Bioorg Med Chem 19: 5190-8 (2011) Article DOI: 10.1016/j.bmc.2011.07.008 BindingDB Entry DOI: 10.7270/Q2HX1D2T
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50351031 (CHEMBL1819330) Show SMILES N[C@@H](CNC(=O)[C@@H](O)CNC(=O)[C@H](N)Cc1ccccc1)[C@@H](O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H27N5O6/c22-16(10-13-4-2-1-3-5-13)20(29)25-12-18(27)21(30)24-11-17(23)19(28)14-6-8-15(9-7-14)26(31)32/h1-9,16-19,27-28H,10-12,22-23H2,(H,24,30)(H,25,29)/t16-,17+,18+,19+/m1/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	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of human MMP-2 after 30 mins by spectrophotometry				Bioorg Med Chem 19: 5190-8 (2011) Article DOI: 10.1016/j.bmc.2011.07.008 BindingDB Entry DOI: 10.7270/Q2HX1D2T
					More data for this Ligand-Target Pair
Aminopeptidase N (Homo sapiens (Human))	BDBM50351031 (CHEMBL1819330) Show SMILES N[C@@H](CNC(=O)[C@@H](O)CNC(=O)[C@H](N)Cc1ccccc1)[C@@H](O)c1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C21H27N5O6/c22-16(10-13-4-2-1-3-5-13)20(29)25-12-18(27)21(30)24-11-17(23)19(28)14-6-8-15(9-7-14)26(31)32/h1-9,16-19,27-28H,10-12,22-23H2,(H,24,30)(H,25,29)/t16-,17+,18+,19+/m1/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	6.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of APN in human HL60 cells assessed as hydrolysis of L-Leu-p-nitroanilide by spectrophotometry				Bioorg Med Chem 19: 5190-8 (2011) Article DOI: 10.1016/j.bmc.2011.07.008 BindingDB Entry DOI: 10.7270/Q2HX1D2T
					More data for this Ligand-Target Pair