Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 466.4 BDBM50332945

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

Found 9 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
Collagenase 3 (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP13 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-13 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP8 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-12 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	14.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP12 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-1 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured ...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	286	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP1 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of MMP-7 catalytic domain (unknown origin) assessed as inhibition of hydrolysis of Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate measured ...				Bioorg Med Chem 25: 523-527 (2017) Article DOI: 10.1016/j.bmc.2016.11.028 BindingDB Entry DOI: 10.7270/Q2VH5QVB
					More data for this Ligand-Target Pair
Matrilysin (Homo sapiens (Human))	BDBM50332945 (CHEMBL1232074 | N-hydroxy-2-(4-methoxy-N-(2-((2R,3...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC(=O)NO |r| Show InChI InChI=1S/C17H26N2O11S/c1-28-10-2-4-11(5-3-10)31(26,27)19(8-13(21)18-25)6-7-29-17-16(24)15(23)14(22)12(9-20)30-17/h2-5,12,14-17,20,22-25H,6-9H2,1H3,(H,18,21)/t12-,14-,15+,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ProtEra s.r.l. Curated by ChEMBL					Assay Description Inhibition of MMP7 by fluorimetric assay				Eur J Med Chem 45: 5919-25 (2010) Article DOI: 10.1016/j.ejmech.2010.09.057 BindingDB Entry DOI: 10.7270/Q29G5N2W
					More data for this Ligand-Target Pair