Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.4 BDBM26571

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

Found 5 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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM26571 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...) Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM26571 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...) Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.33E+3	>-31.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM26571 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...) Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM26571 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...) Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26571 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)im...) Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nc3ccccn23)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C22H21F3N4O4/c23-22(24,25)19-17(29-9-2-1-3-18(29)27-19)11-13-4-6-14(7-5-13)20(30)26-16-8-10-33-12-15(16)21(31)28-32/h1-7,9,15-16,32H,8,10-12H2,(H,26,30)(H,28,31)/t15-,16+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company					Assay Description The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...				Bioorg Med Chem Lett 18: 1958-62 (2008) Article DOI: 10.1016/j.bmcl.2008.01.120 BindingDB Entry DOI: 10.7270/Q25B00SX
					More data for this Ligand-Target Pair