Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50069217'   

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
Stromelysin-1 (Homo sapiens (Human))	BDBM50069217 ((2R,3R)-2,N*1*-Dihydroxy-N*4*-((S)-4-dimethylamino...) Show SMILES CNC(=O)[C@H](CCCNS(=O)(=O)N(C)C)NC(=O)[C@H](CCCc1ccccc1)[C@@](C)(O)C(=O)NO Show InChI InChI=1S/C22H37N5O7S/c1-22(31,21(30)26-32)17(13-8-12-16-10-6-5-7-11-16)19(28)25-18(20(29)23-2)14-9-15-24-35(33,34)27(3)4/h5-7,10-11,17-18,24,31-32H,8-9,12-15H2,1-4H3,(H,23,29)(H,25,28)(H,26,30)/t17-,18-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Binding affinity against human matrix metalloproteinase-3.				Bioorg Med Chem Lett 8: 837-42 (1999) BindingDB Entry DOI: 10.7270/Q29022WN
					More data for this Ligand-Target Pair