Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.3 BDBM50227543

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))	BDBM50227543 (CHEMBL251423 | naphthalen-1-yl 6-mercaptopicolinat...) Show SMILES O=C(Oc1cccc2ccccc12)c1cccc(=S)[nH]1 Show InChI InChI=1S/C16H11NO2S/c18-16(13-8-4-10-15(20)17-13)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,17,20)	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	9.80E+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
Interstitial collagenase (Homo sapiens (Human))	BDBM50227543 (CHEMBL251423 | naphthalen-1-yl 6-mercaptopicolinat...) Show SMILES O=C(Oc1cccc2ccccc12)c1cccc(=S)[nH]1 Show InChI InChI=1S/C16H11NO2S/c18-16(13-8-4-10-15(20)17-13)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,17,20)	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))	BDBM50227543 (CHEMBL251423 | naphthalen-1-yl 6-mercaptopicolinat...) Show SMILES O=C(Oc1cccc2ccccc12)c1cccc(=S)[nH]1 Show InChI InChI=1S/C16H11NO2S/c18-16(13-8-4-10-15(20)17-13)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,17,20)	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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50227543 (CHEMBL251423 | naphthalen-1-yl 6-mercaptopicolinat...) Show SMILES O=C(Oc1cccc2ccccc12)c1cccc(=S)[nH]1 Show InChI InChI=1S/C16H11NO2S/c18-16(13-8-4-10-15(20)17-13)19-14-9-3-6-11-5-1-2-7-12(11)14/h1-10H,(H,17,20)	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