Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50466702'   

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))	BDBM50466702 (CHEMBL4279699) Show SMILES CO[C@@H]1O[C@H](CNC(=S)NCCN([C@H](C(C)C)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H37N3O9S2/c1-16(2)21(25(34)35)30(41(36,37)19-11-9-18(10-12-19)17-7-5-4-6-8-17)14-13-28-27(40)29-15-20-22(31)23(32)24(33)26(38-3)39-20/h4-12,16,20-24,26,31-33H,13-15H2,1-3H3,(H,34,35)(H2,28,29,40)/t20-,21-,22-,23+,24-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate add...				Bioorg Med Chem 26: 5804-5815 (2018) Article DOI: 10.1016/j.bmc.2018.10.024 BindingDB Entry DOI: 10.7270/Q2SN0CPT
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