Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thermolysin' and Ligand = 'BDBM50138798'   

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
Thermolysin (Bacillus thermoproteolyticus)	BDBM50138798 (CHEMBL3754100) Show SMILES CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(Br)s1 Show InChI InChI=1S/C9H13BrN2O5S2/c1-6(2)17-12(5-8(13)11-14)19(15,16)9-4-3-7(10)18-9/h3-4,6,14H,5H2,1-2H3,(H,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 1 hr followed by the addition of 3.33 uM bradykinin like substrat...				Eur J Med Chem 108: 141-53 (2016) Article DOI: 10.1016/j.ejmech.2015.11.019 BindingDB Entry DOI: 10.7270/Q2HT2R63
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50138798 (CHEMBL3754100) Show SMILES CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(Br)s1 Show InChI InChI=1S/C9H13BrN2O5S2/c1-6(2)17-12(5-8(13)11-14)19(15,16)9-4-3-7(10)18-9/h3-4,6,14H,5H2,1-2H3,(H,11,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of Bacillus thermoproteolyticus thermolysin pretreated with compound for 15 mins followed by the addition of 75 uM Abz-Ala-Gly-leu-Ala-p-n...				Eur J Med Chem 108: 141-53 (2016) Article DOI: 10.1016/j.ejmech.2015.11.019 BindingDB Entry DOI: 10.7270/Q2HT2R63
					More data for this Ligand-Target Pair