Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50370658'   

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))	BDBM50370658 (CHEMBL1169459) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)C#CCCCCF)C(O)=O Show InChI InChI=1S/C17H22FNO4S/c1-13(2)16(17(20)21)19-24(22,23)15-10-8-14(9-11-15)7-5-3-4-6-12-18/h8-11,13,16,19H,3-4,6,12H2,1-2H3,(H,20,21)/t16-/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	1.90E+3	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 2				J Med Chem 48: 3400-9 (2005) Article DOI: 10.1021/jm049145x BindingDB Entry DOI: 10.7270/Q2NS0VPR
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