Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '72 kDa type IV collagenase' and Ligand = 'BDBM50213418'   

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))	BDBM50213418 ((2E)-3-(N-hydroxycarbamoyl)-2-heptylidenepropionyl...) Show SMILES CCCCCC\C=C(/CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C23H32N4O4/c1-3-4-5-6-7-10-16(14-21(28)27-31)22(29)26-20(23(30)24-2)13-17-15-25-19-12-9-8-11-18(17)19/h8-12,15,20,25,31H,3-7,13-14H2,1-2H3,(H,24,30)(H,26,29)(H,27,28)/b16-10+/t20-/m0/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	123	n/a	n/a	n/a	n/a	n/a	n/a
Université de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 15: 4753-66 (2007) Article DOI: 10.1016/j.bmc.2007.05.001 BindingDB Entry DOI: 10.7270/Q2Q23ZXN
					More data for this Ligand-Target Pair