BDBM50227576 2,5-difluorobenzyl 6-mercaptopicolinate::CHEMBL400449

SMILES: Fc1ccc(F)c(COC(=O)c2cccc(=S)[nH]2)c1

InChI Key: InChIKey=WZHYWMHDTQCLHR-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50227576   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interstitial collagenase (Homo sapiens (Human))	BDBM50227576 (2,5-difluorobenzyl 6-mercaptopicolinate | CHEMBL40...) Show SMILES Fc1ccc(F)c(COC(=O)c2cccc(=S)[nH]2)c1 Show InChI InChI=1S/C13H9F2NO2S/c14-9-4-5-10(15)8(6-9)7-18-13(17)11-2-1-3-12(19)16-11/h1-6H,7H2,(H,16,19)	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
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50227576 (2,5-difluorobenzyl 6-mercaptopicolinate | CHEMBL40...) Show SMILES Fc1ccc(F)c(COC(=O)c2cccc(=S)[nH]2)c1 Show InChI InChI=1S/C13H9F2NO2S/c14-9-4-5-10(15)8(6-9)7-18-13(17)11-2-1-3-12(19)16-11/h1-6H,7H2,(H,16,19)	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	1.70E+4	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))	BDBM50227576 (2,5-difluorobenzyl 6-mercaptopicolinate | CHEMBL40...) Show SMILES Fc1ccc(F)c(COC(=O)c2cccc(=S)[nH]2)c1 Show InChI InChI=1S/C13H9F2NO2S/c14-9-4-5-10(15)8(6-9)7-18-13(17)11-2-1-3-12(19)16-11/h1-6H,7H2,(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50227576 (2,5-difluorobenzyl 6-mercaptopicolinate | CHEMBL40...) Show SMILES Fc1ccc(F)c(COC(=O)c2cccc(=S)[nH]2)c1 Show InChI InChI=1S/C13H9F2NO2S/c14-9-4-5-10(15)8(6-9)7-18-13(17)11-2-1-3-12(19)16-11/h1-6H,7H2,(H,16,19)	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	1.40E+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