Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50119280'   

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))	BDBM50119280 (CHEMBL3617406) Show SMILES CC(C)ON([C@H](CCNC(C)=O)C(=O)NO)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C15H23N3O6S/c1-11(2)24-18(25(22,23)13-7-5-4-6-8-13)14(15(20)17-21)9-10-16-12(3)19/h4-8,11,14,21H,9-10H2,1-3H3,(H,16,19)(H,17,20)/t14-/m1/s1	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	590	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human activated-MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...				J Med Chem 58: 7224-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00367 BindingDB Entry DOI: 10.7270/Q2DV1MPR
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