Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50523952'   

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))	BDBM50523952 (CHEMBL4539203) Show SMILES [H][C@@]12CN([C@@H](C(=O)NO)[C@]1([H])OC(C)(C)O2)C(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C28H31N3O6/c1-28(2)36-23-18-31(24(25(23)37-28)26(32)29-34)27(33)22-11-9-20(10-12-22)4-3-19-5-7-21(8-6-19)17-30-13-15-35-16-14-30/h5-12,23-25,34H,13-18H2,1-2H3,(H,29,32)/t23-,24-,25-/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Hamburg Curated by ChEMBL					Assay Description Inhibition of human MMP9 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diamino-propionyl)Ala-Arg-NH2 as substrate...				Bioorg Med Chem 27: 1997-2018 (2019) Article DOI: 10.1016/j.bmc.2019.03.056 BindingDB Entry DOI: 10.7270/Q2VH5S8J
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