Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50428829'   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50428829 (CHEMBL2337130) Show SMILES ONC(=O)c1cccc(F)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H18F4N2O5S/c20-16-3-1-2-15(18(26)24-27)17(16)31(28,29)25-10-8-14(9-11-25)30-13-6-4-12(5-7-13)19(21,22)23/h1-7,14,27H,8-11H2,(H,24,26)	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of MMP2 (unknown origin)				Eur J Med Chem 60: 89-100 (2013) Article DOI: 10.1016/j.ejmech.2012.10.016 BindingDB Entry DOI: 10.7270/Q2MC91CR
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