Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50167497'   

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))	BDBM50167497 (5-[4-(2-Methyl-quinolin-4-ylmethoxy)-phenyl]-5-mor...) Show SMILES Cc1cc(COc2ccc(cc2)C2(N3CCOCC3)C(=O)NC(=O)NC2=O)c2ccccc2n1 Show InChI InChI=1S/C25H24N4O5/c1-16-14-17(20-4-2-3-5-21(20)26-16)15-34-19-8-6-18(7-9-19)25(29-10-12-33-13-11-29)22(30)27-24(32)28-23(25)31/h2-9,14H,10-13,15H2,1H3,(H2,27,28,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro binding affinity against matrix metalloprotease 9				Bioorg Med Chem Lett 15: 2970-3 (2005) Article DOI: 10.1016/j.bmcl.2005.04.039 BindingDB Entry DOI: 10.7270/Q2028R2B
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