BindingDB PrimarySearch

null

SMILES: ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cc2c(nn3ccccc23)C(F)(F)F)cc1

InChI Key: InChIKey=SXDMGWZDRWQMPS-DLBZAZTESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 26575
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP8				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.33E+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
Bristol-Myers Squibb Company					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	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
Bristol-Myers Squibb Company					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	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
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP3				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP14				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-2 (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP10				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>6.02E+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
Bristol-Myers Squibb Company					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>6.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP12				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	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
Bristol-Myers Squibb Company					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	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
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP7				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-15 (Homo sapiens (Human))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>7.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of MMP15				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	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
Bristol-Myers Squibb Company					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Sus scrofa (pig))	BDBM26575 ((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)py...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of pig TACE				Bioorg Med Chem 16: 8781-94 (2008) Article DOI: 10.1016/j.bmc.2008.08.058 BindingDB Entry DOI: 10.7270/Q2JD4WM2
University of Athens Curated by ChEMBL					More data for this Ligand-Target Pair