Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50106652'   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50106652 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) Show SMILES NC(N[N+]([O-])=O)=NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)[C@H](CCC(F)(F)F)N(O)C=O)C(=O)Nc1nccs1 |w:6.6| Show InChI InChI=1S/C23H35F3N8O6S/c24-23(25,26)9-8-18(33(38)14-35)16(13-15-5-2-1-3-6-15)19(36)30-17(20(37)31-22-29-11-12-41-22)7-4-10-28-21(27)32-34(39)40/h11-12,14-18,38H,1-10,13H2,(H,30,36)(H3,27,28,32)(H,29,31,37)/t16-,17+,18+/m1/s1	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	49	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-9				J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5
					More data for this Ligand-Target Pair