Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.3 BDBM50227532

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50227532 (4-phenoxybenzyl 6-mercaptopicolinate | CHEMBL25007...) Show SMILES O=C(OCc1ccc(Oc2ccccc2)cc1)c1cccc(=S)[nH]1 Show InChI InChI=1S/C19H15NO3S/c21-19(17-7-4-8-18(24)20-17)22-13-14-9-11-16(12-10-14)23-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,24)	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	9.30E+4	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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50227532 (4-phenoxybenzyl 6-mercaptopicolinate | CHEMBL25007...) Show SMILES O=C(OCc1ccc(Oc2ccccc2)cc1)c1cccc(=S)[nH]1 Show InChI InChI=1S/C19H15NO3S/c21-19(17-7-4-8-18(24)20-17)22-13-14-9-11-16(12-10-14)23-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,24)	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	1.09E+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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50227532 (4-phenoxybenzyl 6-mercaptopicolinate | CHEMBL25007...) Show SMILES O=C(OCc1ccc(Oc2ccccc2)cc1)c1cccc(=S)[nH]1 Show InChI InChI=1S/C19H15NO3S/c21-19(17-7-4-8-18(24)20-17)22-13-14-9-11-16(12-10-14)23-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,24)	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	1.10E+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
Interstitial collagenase (Homo sapiens (Human))	BDBM50227532 (4-phenoxybenzyl 6-mercaptopicolinate | CHEMBL25007...) Show SMILES O=C(OCc1ccc(Oc2ccccc2)cc1)c1cccc(=S)[nH]1 Show InChI InChI=1S/C19H15NO3S/c21-19(17-7-4-8-18(24)20-17)22-13-14-9-11-16(12-10-14)23-15-5-2-1-3-6-15/h1-12H,13H2,(H,20,24)	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	1.14E+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