Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50077150'   

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))	BDBM50077150 ((R)-3-(1H-Indol-3-yl)-2-[4-(4-methoxy-phenylethyny...) Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C26H21N3O7S/c1-36-20-11-7-17(8-12-20)6-9-18-10-13-21(15-25(18)29(32)33)37(34,35)28-24(26(30)31)14-19-16-27-23-5-3-2-4-22(19)23/h2-5,7-8,10-13,15-16,24,27-28H,14H2,1H3,(H,30,31)/t24-/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	33	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against Matrix metalloproteinase-2 (concentration required for 50% inhibition of enzyme activity)				J Med Chem 42: 1723-38 (1999) Article DOI: 10.1021/jm980514x BindingDB Entry DOI: 10.7270/Q2KP81BQ
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