Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50064797'   

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))	BDBM50064797 ((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...) Show SMILES COc1ccc(CN2[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C2=O)cc1 Show InChI InChI=1S/C20H28N2O3S/c1-25-16-9-7-15(8-10-16)12-22-18(11-14-5-3-2-4-6-14)19(23)21-17(13-26)20(22)24/h7-10,14,17-18,26H,2-6,11-13H2,1H3,(H,21,23)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Affymax Research Institute Curated by ChEMBL					Assay Description Inhibition of Matrix Metalloproteinase-3				J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8
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