Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 325.3 BDBM29023

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

Found 1 hit 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))	BDBM29023 ((1S,5R)-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-aza...) Show SMILES OC(=O)C1[C@@H]2OC[C@H](CN1Cc1ccc(cc1)-c1ccccc1)O2 |r| Show InChI InChI=1S/C19H19NO4/c21-18(22)17-19-23-12-16(24-19)11-20(17)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-17,19H,10-12H2,(H,21,22)/t16-,17?,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.2	25
University of Florence					Assay Description The NMR experiments were performed to determine the binding affinity (KD) for the MMP-12 catalytic domain. The alteration of the chemical shifts indu...				Bioorg Med Chem 14: 7392-403 (2006) Article DOI: 10.1016/j.bmc.2006.07.028 BindingDB Entry DOI: 10.7270/Q2TD9VPX
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