Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50166264'   

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))	BDBM50166264 (5-[4-(4-Bromo-phenoxy)-phenyl]-5-[4-(3-iodo-benzoy...) Show SMILES Brc1ccc(Oc2ccc(cc2)C2(N3CCN(CC3)C(=O)c3cccc(I)c3)C(=O)NC(=O)NC2=O)cc1 Show InChI InChI=1S/C27H22BrIN4O5/c28-19-6-10-22(11-7-19)38-21-8-4-18(5-9-21)27(24(35)30-26(37)31-25(27)36)33-14-12-32(13-15-33)23(34)17-2-1-3-20(29)16-17/h1-11,16H,12-15H2,(H2,30,31,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of the Westf£lische Wilhelms-Universit£t Curated by ChEMBL					Assay Description In vitro inhibition of human Matrix metalloprotease 9				J Med Chem 48: 3400-9 (2005) Article DOI: 10.1021/jm049145x BindingDB Entry DOI: 10.7270/Q2NS0VPR
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