Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50518292'   

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))	BDBM50518292 (CHEMBL4442617) Show SMILES ONC(=O)[C@@H](CCNC(=O)c1cccc(c1)C(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C40H40N6O10S2/c47-37(41-24-22-35(39(49)43-51)45-57(53,54)33-18-14-29(15-19-33)27-8-3-1-4-9-27)31-12-7-13-32(26-31)38(48)42-25-23-36(40(50)44-52)46-58(55,56)34-20-16-30(17-21-34)28-10-5-2-6-11-28/h1-21,26,35-36,45-46,51-52H,22-25H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t35-,36-/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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human proMMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ...				Bioorg Med Chem 27: 196-207 (2019) Article DOI: 10.1016/j.bmc.2018.11.041 BindingDB Entry DOI: 10.7270/Q2CC142R
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