Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50131949'   

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))	BDBM50131949 (2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(4,4-dimethy...) Show SMILES CC1(C)NC(=O)N(C[C@@H]2CC[C@H](Sc3ccc(cc3)-c3ccc(Cl)cc3)[C@H]2C(O)=O)C1=O Show InChI InChI=1S/C24H25ClN2O4S/c1-24(2)22(30)27(23(31)26-24)13-16-7-12-19(20(16)21(28)29)32-18-10-5-15(6-11-18)14-3-8-17(25)9-4-14/h3-6,8-11,16,19-20H,7,12-13H2,1-2H3,(H,26,31)(H,28,29)/t16-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherches Servier Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloprotease-9 (MMP9)				J Med Chem 46: 3840-52 (2003) Article DOI: 10.1021/jm0307638 BindingDB Entry DOI: 10.7270/Q2CC11FF
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