Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50374494'   

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))	BDBM50374494 (CHEMBL271736) Show SMILES CN1CCN(CCN(c2cccn(O)c2=O)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1 Show InChI InChI=1S/C24H27ClN4O5S/c1-26-13-15-27(16-14-26)17-18-29(23-3-2-12-28(31)24(23)30)35(32,33)22-10-8-21(9-11-22)34-20-6-4-19(25)5-7-20/h2-12,31H,13-18H2,1H3	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem Lett 18: 409-13 (2008) Article DOI: 10.1016/j.bmcl.2007.10.045 BindingDB Entry DOI: 10.7270/Q2833SWF
					More data for this Ligand-Target Pair