Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 222.2 BDBM50227550

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

Found 4 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))	BDBM50227550 (4-(4,5-dihydrooxazol-2-yl)-1-hexyl-1H-1,2,3-triazo...) Show SMILES CCCCCCn1cc(nn1)C1=NCCO1 |t:12| Show InChI InChI=1S/C11H18N4O/c1-2-3-4-5-7-15-9-10(13-14-15)11-12-6-8-16-11/h9H,2-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
North Dakota State University Curated by ChEMBL					Assay Description Inhibition of MMP12				Bioorg Med Chem Lett 17: 6864-70 (2008) Article DOI: 10.1016/j.bmcl.2007.10.020 BindingDB Entry DOI: 10.7270/Q2C24X80
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50227550 (4-(4,5-dihydrooxazol-2-yl)-1-hexyl-1H-1,2,3-triazo...) Show SMILES CCCCCCn1cc(nn1)C1=NCCO1 |t:12| Show InChI InChI=1S/C11H18N4O/c1-2-3-4-5-7-15-9-10(13-14-15)11-12-6-8-16-11/h9H,2-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
North Dakota State University Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 17: 6864-70 (2008) Article DOI: 10.1016/j.bmcl.2007.10.020 BindingDB Entry DOI: 10.7270/Q2C24X80
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50227550 (4-(4,5-dihydrooxazol-2-yl)-1-hexyl-1H-1,2,3-triazo...) Show SMILES CCCCCCn1cc(nn1)C1=NCCO1 |t:12| Show InChI InChI=1S/C11H18N4O/c1-2-3-4-5-7-15-9-10(13-14-15)11-12-6-8-16-11/h9H,2-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
North Dakota State University Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 17: 6864-70 (2008) Article DOI: 10.1016/j.bmcl.2007.10.020 BindingDB Entry DOI: 10.7270/Q2C24X80
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50227550 (4-(4,5-dihydrooxazol-2-yl)-1-hexyl-1H-1,2,3-triazo...) Show SMILES CCCCCCn1cc(nn1)C1=NCCO1 |t:12| Show InChI InChI=1S/C11H18N4O/c1-2-3-4-5-7-15-9-10(13-14-15)11-12-6-8-16-11/h9H,2-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
North Dakota State University Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 17: 6864-70 (2008) Article DOI: 10.1016/j.bmcl.2007.10.020 BindingDB Entry DOI: 10.7270/Q2C24X80
					More data for this Ligand-Target Pair