Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 372.8 BDBM50304556

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
Aminopeptidase N (Sus scrofa (Pig))	BDBM50304556 (4-(2-Chlorophenylamino)-2-cinnamamido-4-oxobutanoi...) Show SMILES OC(=O)[C@@H](CC(=O)Nc1ccccc1Cl)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C19H17ClN2O4/c20-14-8-4-5-9-15(14)21-18(24)12-16(19(25)26)22-17(23)11-10-13-6-2-1-3-7-13/h1-11,16H,12H2,(H,21,24)(H,22,23)(H,25,26)/b11-10+/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of porcine kidney microsome APN assessed as L-Leu-p-nitroanilide hydrolysis				Bioorg Med Chem 17: 7398-404 (2009) Article DOI: 10.1016/j.bmc.2009.07.014 BindingDB Entry DOI: 10.7270/Q2QV3MMD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50304556 (4-(2-Chlorophenylamino)-2-cinnamamido-4-oxobutanoi...) Show SMILES OC(=O)[C@@H](CC(=O)Nc1ccccc1Cl)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C19H17ClN2O4/c20-14-8-4-5-9-15(14)21-18(24)12-16(19(25)26)22-17(23)11-10-13-6-2-1-3-7-13/h1-11,16H,12H2,(H,21,24)(H,22,23)(H,25,26)/b11-10+/t16-/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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 17: 7398-404 (2009) Article DOI: 10.1016/j.bmc.2009.07.014 BindingDB Entry DOI: 10.7270/Q2QV3MMD
					More data for this Ligand-Target Pair