BDBM50103987 CHEMBL102441::N-Hydroxy-2-[isobutyl-(4-methoxy-benzenesulfonyl)-amino]-4-pentafluorophenylmethylsulfanyl-butyramide

SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO

InChI Key: InChIKey=AGLYKFTUNLOGBT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50103987   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50103987 (CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-9				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50103987 (CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-2				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50103987 (CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-1				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50103987 (CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	705	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-3				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50103987 (CHEMBL102441 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1c(F)c(F)c(F)c(F)c1F)C(=O)NO Show InChI InChI=1S/C22H25F5N2O5S2/c1-12(2)10-29(36(32,33)14-6-4-13(34-3)5-7-14)16(22(30)28-31)8-9-35-11-15-17(23)19(25)21(27)20(26)18(15)24/h4-7,12,16,31H,8-11H2,1-3H3,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	407	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-13				J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24
					More data for this Ligand-Target Pair