Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 252.2 BDBM240814

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 (Sus scrofa (Pig))	BDBM240814 ((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...) Show SMILES C[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(15)9(13)8-5-3-2-4-6-8/h2-7,9-10,15H,13H2,1H3,(H,14,16)(H,17,18)/t7-,9-,10+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shan Dong University					Assay Description Gelatinase A (MMP-2) and TNBS were purchased from Sigma, and the substance was synthesized as described by Vijaykumar et al. The gelatinase, substanc...				J Enzyme Inhib Med Chem 28: 545-51 (2013) Article DOI: 10.3109/14756366.2012.656622 BindingDB Entry DOI: 10.7270/Q24J0D1S
					More data for this Ligand-Target Pair
Aminopeptidase N (Sus scrofa (Pig))	BDBM240814 ((S)-2-((2R,3S)-3-amino-2-hydroxy-3-phenylpropanami...) Show SMILES C[C@H](NC(=O)[C@H](O)[C@@H](N)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(15)9(13)8-5-3-2-4-6-8/h2-7,9-10,15H,13H2,1H3,(H,14,16)(H,17,18)/t7-,9-,10+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.42E+5	n/a	n/a	n/a	n/a	7.5	25
Shan Dong University					Assay Description IC50 values against APN from Porcine Kidney were determined by using L-Leu-p-nitroanilide as a substrate. All the solutions of the inhibitors were pr...				J Enzyme Inhib Med Chem 28: 545-51 (2013) Article DOI: 10.3109/14756366.2012.656622 BindingDB Entry DOI: 10.7270/Q24J0D1S
					More data for this Ligand-Target Pair