Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127484'   

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))	BDBM50127484 (2-[7-(3,5-Dimethoxy-benzylamino)-1,1-dioxo-1,3,4,5...) Show SMILES COc1cc(CNc2ccc3c(NCCN([C@H](CC(C)C)C(=O)NO)S3(=O)=O)c2)cc(OC)c1 Show InChI InChI=1S/C23H32N4O6S/c1-15(2)9-21(23(28)26-29)27-8-7-24-20-12-17(5-6-22(20)34(27,30)31)25-14-16-10-18(32-3)13-19(11-16)33-4/h5-6,10-13,15,21,24-25,29H,7-9,14H2,1-4H3,(H,26,28)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	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 inhibitory activity against broad spectrum matrix metalloprotease-2 (MMP-2)				J Med Chem 46: 1811-23 (2003) Article DOI: 10.1021/jm020475w BindingDB Entry DOI: 10.7270/Q2TQ60W7
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