Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50127457'   

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))	BDBM50127457 (2-[7-(2,6-Dimethyl-pyridin-4-ylmethoxy)-1,1-dioxo-...) Show SMILES C[C@@H](N1CCNc2cc(OCc3cc(C)nc(C)c3)ccc2S1(=O)=O)C(=O)NO Show InChI InChI=1S/C19H24N4O5S/c1-12-8-15(9-13(2)21-12)11-28-16-4-5-18-17(10-16)20-6-7-23(29(18,26)27)14(3)19(24)22-25/h4-5,8-10,14,20,25H,6-7,11H2,1-3H3,(H,22,24)/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	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
					More data for this Ligand-Target Pair