Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 269.3 BDBM50089197

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

Found 5 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
Interstitial collagenase (Homo sapiens (Human))	BDBM50089197 (3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	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	93	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-1				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Peptide deformylase (Escherichia coli)	BDBM50089197 (3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against isolated Escherichia coli peptidyl deformylase (PDF) enzyme containing iron.				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50089197 (3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against neutral endopeptidase enzyme (NEP).				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50089197 (3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin I converting enzyme (ACE)				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50089197 (3-Benzenesulfinyl-heptanoic acid hydroxyamide | CH...) Show SMILES CCCCC(CC(=O)NO)S(=O)c1ccccc1 Show InChI InChI=1S/C13H19NO3S/c1-2-3-7-12(10-13(15)14-16)18(17)11-8-5-4-6-9-11/h4-6,8-9,12,16H,2-3,7,10H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Endothelin-converting enzyme 1				J Med Chem 43: 2324-31 (2000) BindingDB Entry DOI: 10.7270/Q2QF8TJR
					More data for this Ligand-Target Pair